4-tert-butyl-N-[(1,4-dimethylpiperazin-2-yl)methyl]piperidine-1-carboxamide;4-tert-butyl-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-1-carboxamide;4-tert-butyl-N-[2-(1-methylpiperidin-4-yl)ethyl]piperidine-1-carboxamide;4-tert-butyl-N-(2-morpholin-4-ylethyl)piperidine-1-carboxamide;4-tert-butyl-N-(morpholin-2-ylmethyl)piperidine-1-carboxamide;4-tert-butyl-N-(3-morpholin-4-ylpropyl)piperidine-1-carboxamide;4-tert-butyl-N-(2-piperazin-1-ylethyl)piperidine-1-carboxamide

C116H228N24O10 — CID 159201743

IUPAC4-tert-butyl-N-[(1,4-dimethylpiperazin-2-yl)methyl]piperidine-1-carboxamide;4-tert-butyl-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-1-carboxamide;4-tert-butyl-N-[2-(1-methylpiperidin-4-yl)ethyl]piperidine-1-carboxamide;4-tert-butyl-N-(2-morpholin-4-ylethyl)piperidine-1-carboxamide;4-tert-butyl-N-(morpholin-2-ylmethyl)piperidine-1-carboxamide;4-tert-butyl-N-(3-morpholin-4-ylpropyl)piperidine-1-carboxamide;4-tert-butyl-N-(2-piperazin-1-ylethyl)piperidine-1-carboxamide
SMILESCC(C)(C)C1CCN(C(=O)NCC2CNCCO2)CC1.CC(C)(C)C1CCN(C(=O)NCCCN2CCOCC2)CC1.CC(C)(C)C1CCN(C(=O)NCCN2CCNCC2)CC1.CC(C)(C)C1CCN(C(=O)NCCN2CCOCC2)CC1.CN1CCC(CCNC(=O)N2CCC(C(C)(C)C)CC2)CC1.CN1CCN(C)C(CNC(=O)N2CCC(C(C)(C)C)CC2)C1.CN1CCN(CCNC(=O)N2CCC(C(C)(C)C)CC2)CC1
InChIInChI=1S/C18H35N3O.2C17H34N4O.C17H33N3O2.C16H32N4O.C16H31N3O2.C15H29N3O2/c1-18(2,3)16-8-13-21(14-9-16)17(22)19-10-5-15-6-11-20(4)12-7-15;1-17(2,3)14-6-8-21(9-7-14)16(22)18-12-15-13-19(4)10-11-20(15)5;1-17(2,3)15-5-8-21(9-6-15)16(22)18-7-10-20-13-11-19(4)12-14-20;1-17(2,3)15-5-9-20(10-6-15)16(21)18-7-4-8-19-11-13-22-14-12-19;1-16(2,3)14-4-9-20(10-5-14)15(21)18-8-13-19-11-6-17-7-12-19;1-16(2,3)14-4-7-19(8-5-14)15(20)17-6-9-18-10-12-21-13-11-18;1-15(2,3)12-4-7-18(8-5-12)14(19)17-11-13-10-16-6-9-20-13/h15-16H,5-14H2,1-4H3,(H,19,22);14-15H,6-13H2,1-5H3,(H,18,22);15H,5-14H2,1-4H3,(H,18,22);15H,4-14H2,1-3H3,(H,18,21);14,17H,4-13H2,1-3H3,(H,18,21);14H,4-13H2,1-3H3,(H,17,20);12-13,16H,4-11H2,1-3H3,(H,17,19)
InChIKeyKPJKBNDSZMVHKN-UHFFFAOYSA-N
MW2119.26 g/mol
LogP13.35
Rot. Bonds20

About 4-tert-butyl-N-[(1,4-dimethylpiperazin-2-yl)methyl]piperidine-1-carboxamide;4-tert-butyl-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-1-carboxamide;4-tert-butyl-N-[2-(1-methylpiperidin-4-yl)ethyl]piperidine-1-carboxamide;4-tert-butyl-N-(2-morpholin-4-ylethyl)piperidine-1-carboxamide;4-tert-butyl-N-(morpholin-2-ylmethyl)piperidine-1-carboxamide;4-tert-butyl-N-(3-morpholin-4-ylpropyl)piperidine-1-carboxamide;4-tert-butyl-N-(2-piperazin-1-ylethyl)piperidine-1-carboxamide

4-tert-butyl-N-[(1,4-dimethylpiperazin-2-yl)methyl]piperidine-1-carboxamide;4-tert-butyl-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-1-carboxamide;4-tert-butyl-N-[2-(1-methylpiperidin-4-yl)ethyl]piperidine-1-carboxamide;4-tert-butyl-N-(2-morpholin-4-ylethyl)piperidine-1-carboxamide;4-tert-butyl-N-(morpholin-2-ylmethyl)piperidine-1-carboxamide;4-tert-butyl-N-(3-morpholin-4-ylpropyl)piperidine-1-carboxamide;4-tert-butyl-N-(2-piperazin-1-ylethyl)piperidine-1-carboxamide (PubChem CID 159201743) has the molecular formula C116H228N24O10 and a molecular weight of 2119.26 g/mol. Its IUPAC name is 4-tert-butyl-N-[(1,4-dimethylpiperazin-2-yl)methyl]piperidine-1-carboxamide;4-tert-butyl-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-1-carboxamide;4-tert-butyl-N-[2-(1-methylpiperidin-4-yl)ethyl]piperidine-1-carboxamide;4-tert-butyl-N-(2-morpholin-4-ylethyl)piperidine-1-carboxamide;4-tert-butyl-N-(morpholin-2-ylmethyl)piperidine-1-carboxamide;4-tert-butyl-N-(3-morpholin-4-ylpropyl)piperidine-1-carboxamide;4-tert-butyl-N-(2-piperazin-1-ylethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-tert-butyl-N-[(1,4-dimethylpiperazin-2-yl)methyl]piperidine-1-carboxamide;4-tert-butyl-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-1-carboxamide;4-tert-butyl-N-[2-(1-methylpiperidin-4-yl)ethyl]piperidine-1-carboxamide;4-tert-butyl-N-(2-morpholin-4-ylethyl)piperidine-1-carboxamide;4-tert-butyl-N-(morpholin-2-ylmethyl)piperidine-1-carboxamide;4-tert-butyl-N-(3-morpholin-4-ylpropyl)piperidine-1-carboxamide;4-tert-butyl-N-(2-piperazin-1-ylethyl)piperidine-1-carboxamide
PubChem CID159201743
Molecular FormulaC116H228N24O10
Molecular Weight2119.26 g/mol
Exact Mass2117.81
IUPAC Name4-tert-butyl-N-[(1,4-dimethylpiperazin-2-yl)methyl]piperidine-1-carboxamide;4-tert-butyl-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-1-carboxamide;4-tert-butyl-N-[2-(1-methylpiperidin-4-yl)ethyl]piperidine-1-carboxamide;4-tert-butyl-N-(2-morpholin-4-ylethyl)piperidine-1-carboxamide;4-tert-butyl-N-(morpholin-2-ylmethyl)piperidine-1-carboxamide;4-tert-butyl-N-(3-morpholin-4-ylpropyl)piperidine-1-carboxamide;4-tert-butyl-N-(2-piperazin-1-ylethyl)piperidine-1-carboxamide
SMILESCC(C)(C)C1CCN(C(=O)NCC2CNCCO2)CC1.CC(C)(C)C1CCN(C(=O)NCCCN2CCOCC2)CC1.CC(C)(C)C1CCN(C(=O)NCCN2CCNCC2)CC1.CC(C)(C)C1CCN(C(=O)NCCN2CCOCC2)CC1.CN1CCC(CCNC(=O)N2CCC(C(C)(C)C)CC2)CC1.CN1CCN(C)C(CNC(=O)N2CCC(C(C)(C)C)CC2)C1.CN1CCN(CCNC(=O)N2CCC(C(C)(C)C)CC2)CC1
InChIInChI=1S/C18H35N3O.2C17H34N4O.C17H33N3O2.C16H32N4O.C16H31N3O2.C15H29N3O2/c1-18(2,3)16-8-13-21(14-9-16)17(22)19-10-5-15-6-11-20(4)12-7-15;1-17(2,3)14-6-8-21(9-7-14)16(22)18-12-15-13-19(4)10-11-20(15)5;1-17(2,3)15-5-8-21(9-6-15)16(22)18-7-10-20-13-11-19(4)12-14-20;1-17(2,3)15-5-9-20(10-6-15)16(21)18-7-4-8-19-11-13-22-14-12-19;1-16(2,3)14-4-9-20(10-5-14)15(21)18-8-13-19-11-6-17-7-12-19;1-16(2,3)14-4-7-19(8-5-14)15(20)17-6-9-18-10-12-21-13-11-18;1-15(2,3)12-4-7-18(8-5-12)14(19)17-11-13-10-16-6-9-20-13/h15-16H,5-14H2,1-4H3,(H,19,22);14-15H,6-13H2,1-5H3,(H,18,22);15H,5-14H2,1-4H3,(H,18,22);15H,4-14H2,1-3H3,(H,18,21);14,17H,4-13H2,1-3H3,(H,18,21);14H,4-13H2,1-3H3,(H,17,20);12-13,16H,4-11H2,1-3H3,(H,17,19)
InChIKeyKPJKBNDSZMVHKN-UHFFFAOYSA-N
XLogP13.35
TPSA304.05 Ų
H-Bond Donors9
H-Bond Acceptors20
Rotatable Bonds20
Heavy Atoms150
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002119.26
LogP ≤ 513.35
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-tert-butyl-N-[(1,4-dimethylpiperazin-2-yl)methyl]piperidine-1-carboxamide;4-tert-butyl-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-1-carboxamide;4-tert-butyl-N-[2-(1-methylpiperidin-4-yl)ethyl]piperidine-1-carboxamide;4-tert-butyl-N-(2-morpholin-4-ylethyl)piperidine-1-carboxamide;4-tert-butyl-N-(morpholin-2-ylmethyl)piperidine-1-carboxamide;4-tert-butyl-N-(3-morpholin-4-ylpropyl)piperidine-1-carboxamide;4-tert-butyl-N-(2-piperazin-1-ylethyl)piperidine-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[(1,4-dimethylpiperazin-2-yl)methyl]piperidine-1-carboxamide;4-tert-butyl-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-1-carboxamide;4-tert-butyl-N-[2-(1-methylpiperidin-4-yl)ethyl]piperidine-1-carboxamide;4-tert-butyl-N-(2-morpholin-4-ylethyl)piperidine-1-carboxamide;4-tert-butyl-N-(morpholin-2-ylmethyl)piperidine-1-carboxamide;4-tert-butyl-N-(3-morpholin-4-ylpropyl)piperidine-1-carboxamide;4-tert-butyl-N-(2-piperazin-1-ylethyl)piperidine-1-carboxamide?
The IUPAC name of 4-tert-butyl-N-[(1,4-dimethylpiperazin-2-yl)methyl]piperidine-1-carboxamide;4-tert-butyl-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-1-carboxamide;4-tert-butyl-N-[2-(1-methylpiperidin-4-yl)ethyl]piperidine-1-carboxamide;4-tert-butyl-N-(2-morpholin-4-ylethyl)piperidine-1-carboxamide;4-tert-butyl-N-(morpholin-2-ylmethyl)piperidine-1-carboxamide;4-tert-butyl-N-(3-morpholin-4-ylpropyl)piperidine-1-carboxamide;4-tert-butyl-N-(2-piperazin-1-ylethyl)piperidine-1-carboxamide (CID 159201743) is 4-tert-butyl-N-[(1,4-dimethylpiperazin-2-yl)methyl]piperidine-1-carboxamide;4-tert-butyl-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-1-carboxamide;4-tert-butyl-N-[2-(1-methylpiperidin-4-yl)ethyl]piperidine-1-carboxamide;4-tert-butyl-N-(2-morpholin-4-ylethyl)piperidine-1-carboxamide;4-tert-butyl-N-(morpholin-2-ylmethyl)piperidine-1-carboxamide;4-tert-butyl-N-(3-morpholin-4-ylpropyl)piperidine-1-carboxamide;4-tert-butyl-N-(2-piperazin-1-ylethyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-tert-butyl-N-[(1,4-dimethylpiperazin-2-yl)methyl]piperidine-1-carboxamide;4-tert-butyl-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-1-carboxamide;4-tert-butyl-N-[2-(1-methylpiperidin-4-yl)ethyl]piperidine-1-carboxamide;4-tert-butyl-N-(2-morpholin-4-ylethyl)piperidine-1-carboxamide;4-tert-butyl-N-(morpholin-2-ylmethyl)piperidine-1-carboxamide;4-tert-butyl-N-(3-morpholin-4-ylpropyl)piperidine-1-carboxamide;4-tert-butyl-N-(2-piperazin-1-ylethyl)piperidine-1-carboxamide?
The canonical SMILES for 4-tert-butyl-N-[(1,4-dimethylpiperazin-2-yl)methyl]piperidine-1-carboxamide;4-tert-butyl-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-1-carboxamide;4-tert-butyl-N-[2-(1-methylpiperidin-4-yl)ethyl]piperidine-1-carboxamide;4-tert-butyl-N-(2-morpholin-4-ylethyl)piperidine-1-carboxamide;4-tert-butyl-N-(morpholin-2-ylmethyl)piperidine-1-carboxamide;4-tert-butyl-N-(3-morpholin-4-ylpropyl)piperidine-1-carboxamide;4-tert-butyl-N-(2-piperazin-1-ylethyl)piperidine-1-carboxamide is CC(C)(C)C1CCN(C(=O)NCC2CNCCO2)CC1.CC(C)(C)C1CCN(C(=O)NCCCN2CCOCC2)CC1.CC(C)(C)C1CCN(C(=O)NCCN2CCNCC2)CC1.CC(C)(C)C1CCN(C(=O)NCCN2CCOCC2)CC1.CN1CCC(CCNC(=O)N2CCC(C(C)(C)C)CC2)CC1.CN1CCN(C)C(CNC(=O)N2CCC(C(C)(C)C)CC2)C1.CN1CCN(CCNC(=O)N2CCC(C(C)(C)C)CC2)CC1.
What is the InChIKey of 4-tert-butyl-N-[(1,4-dimethylpiperazin-2-yl)methyl]piperidine-1-carboxamide;4-tert-butyl-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-1-carboxamide;4-tert-butyl-N-[2-(1-methylpiperidin-4-yl)ethyl]piperidine-1-carboxamide;4-tert-butyl-N-(2-morpholin-4-ylethyl)piperidine-1-carboxamide;4-tert-butyl-N-(morpholin-2-ylmethyl)piperidine-1-carboxamide;4-tert-butyl-N-(3-morpholin-4-ylpropyl)piperidine-1-carboxamide;4-tert-butyl-N-(2-piperazin-1-ylethyl)piperidine-1-carboxamide?
The InChIKey is KPJKBNDSZMVHKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3O.2C17H34N4O.C17H33N3O2.C16H32N4O.C16H31N3O2.C15H29N3O2/c1-18(2,3)16-8-13-21(14-9-16)17(22)19-10-5-15-6-11-20(4)12-7-15;1-17(2,3)14-6-8-21(9-7-14)16(22)18-12-15-13-19(4)10-11-20(15)5;1-17(2,3)15-5-8-21(9-6-15)16(22)18-7-10-20-13-11-19(4)12-14-20;1-17(2,3)15-5-9-20(10-6-15)16(21)18-7-4-8-19-11-13-22-14-12-19;1-16(2,3)14-4-9-20(10-5-14)15(21)18-8-13-19-11-6-17-7-12-19;1-16(2,3)14-4-7-19(8-5-14)15(20)17-6-9-18-10-12-21-13-11-18;1-15(2,3)12-4-7-18(8-5-12)14(19)17-11-13-10-16-6-9-20-13/h15-16H,5-14H2,1-4H3,(H,19,22);14-15H,6-13H2,1-5H3,(H,18,22);15H,5-14H2,1-4H3,(H,18,22);15H,4-14H2,1-3H3,(H,18,21);14,17H,4-13H2,1-3H3,(H,18,21);14H,4-13H2,1-3H3,(H,17,20);12-13,16H,4-11H2,1-3H3,(H,17,19).
What are the key properties of 4-tert-butyl-N-[(1,4-dimethylpiperazin-2-yl)methyl]piperidine-1-carboxamide;4-tert-butyl-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-1-carboxamide;4-tert-butyl-N-[2-(1-methylpiperidin-4-yl)ethyl]piperidine-1-carboxamide;4-tert-butyl-N-(2-morpholin-4-ylethyl)piperidine-1-carboxamide;4-tert-butyl-N-(morpholin-2-ylmethyl)piperidine-1-carboxamide;4-tert-butyl-N-(3-morpholin-4-ylpropyl)piperidine-1-carboxamide;4-tert-butyl-N-(2-piperazin-1-ylethyl)piperidine-1-carboxamide?
4-tert-butyl-N-[(1,4-dimethylpiperazin-2-yl)methyl]piperidine-1-carboxamide;4-tert-butyl-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-1-carboxamide;4-tert-butyl-N-[2-(1-methylpiperidin-4-yl)ethyl]piperidine-1-carboxamide;4-tert-butyl-N-(2-morpholin-4-ylethyl)piperidine-1-carboxamide;4-tert-butyl-N-(morpholin-2-ylmethyl)piperidine-1-carboxamide;4-tert-butyl-N-(3-morpholin-4-ylpropyl)piperidine-1-carboxamide;4-tert-butyl-N-(2-piperazin-1-ylethyl)piperidine-1-carboxamide has a molecular weight of 2119.26 g/mol, XLogP of 13.35, 20 rotatable bonds, 9 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[(1,4-dimethylpiperazin-2-yl)methyl]piperidine-1-carboxamide;4-tert-butyl-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-1-carboxamide;4-tert-butyl-N-[2-(1-methylpiperidin-4-yl)ethyl]piperidine-1-carboxamide;4-tert-butyl-N-(2-morpholin-4-ylethyl)piperidine-1-carboxamide;4-tert-butyl-N-(morpholin-2-ylmethyl)piperidine-1-carboxamide;4-tert-butyl-N-(3-morpholin-4-ylpropyl)piperidine-1-carboxamide;4-tert-butyl-N-(2-piperazin-1-ylethyl)piperidine-1-carboxamide is sourced from PubChem (CID 159201743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).