N-(3-acetamidopropyl)-4-tert-butylpiperidine-1-carboxamide;4-tert-butyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]piperidine-1-carboxamide;2-[(4-tert-butylmorpholin-2-yl)methoxy]ethanamine;1-[(4-tert-butylmorpholin-2-yl)methyl]-3-cyclopropylurea;N'-[(4-tert-butylmorpholin-2-yl)methyl]ethane-1,2-diamine;4-tert-butyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine-1-carboxamide;propan-2-yl N-[(4-tert-butylmorpholin-2-yl)methyl]carbamate

C101H203N19O13 — CID 158248407

IUPACN-(3-acetamidopropyl)-4-tert-butylpiperidine-1-carboxamide;4-tert-butyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]piperidine-1-carboxamide;2-[(4-tert-butylmorpholin-2-yl)methoxy]ethanamine;1-[(4-tert-butylmorpholin-2-yl)methyl]-3-cyclopropylurea;N'-[(4-tert-butylmorpholin-2-yl)methyl]ethane-1,2-diamine;4-tert-butyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine-1-carboxamide;propan-2-yl N-[(4-tert-butylmorpholin-2-yl)methyl]carbamate
SMILESCC(=O)NCCCNC(=O)N1CCC(C(C)(C)C)CC1.CC(C)(C)N1CCOC(CNC(=O)NC2CC2)C1.CC(C)(C)N1CCOC(CNCCN)C1.CC(C)(C)N1CCOC(COCCN)C1.CC(C)N1CCC(CNC(=O)N2CCC(C(C)(C)C)CC2)CC1.CC(C)OC(=O)NCC1CN(C(C)(C)C)CCO1.COCCN1CCC(CNC(=O)N2CCC(C(C)(C)C)CC2)CC1
InChIInChI=1S/C19H37N3O2.C19H37N3O.C15H29N3O2.C13H25N3O2.C13H26N2O3.C11H25N3O.C11H24N2O2/c1-19(2,3)17-7-11-22(12-8-17)18(23)20-15-16-5-9-21(10-6-16)13-14-24-4;1-15(2)21-10-6-16(7-11-21)14-20-18(23)22-12-8-17(9-13-22)19(3,4)5;1-12(19)16-8-5-9-17-14(20)18-10-6-13(7-11-18)15(2,3)4;1-13(2,3)16-6-7-18-11(9-16)8-14-12(17)15-10-4-5-10;1-10(2)18-12(16)14-8-11-9-15(6-7-17-11)13(3,4)5;1-11(2,3)14-6-7-15-10(9-14)8-13-5-4-12;1-11(2,3)13-5-7-15-10(8-13)9-14-6-4-12/h16-17H,5-15H2,1-4H3,(H,20,23);15-17H,6-14H2,1-5H3,(H,20,23);13H,5-11H2,1-4H3,(H,16,19)(H,17,20);10-11H,4-9H2,1-3H3,(H2,14,15,17);10-11H,6-9H2,1-5H3,(H,14,16);10,13H,4-9,12H2,1-3H3;10H,4-9,12H2,1-3H3
InChIKeyGGKHWXFPUAVWQT-UHFFFAOYSA-N
MW1891.85 g/mol
LogP11.43
Rot. Bonds26

About N-(3-acetamidopropyl)-4-tert-butylpiperidine-1-carboxamide;4-tert-butyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]piperidine-1-carboxamide;2-[(4-tert-butylmorpholin-2-yl)methoxy]ethanamine;1-[(4-tert-butylmorpholin-2-yl)methyl]-3-cyclopropylurea;N'-[(4-tert-butylmorpholin-2-yl)methyl]ethane-1,2-diamine;4-tert-butyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine-1-carboxamide;propan-2-yl N-[(4-tert-butylmorpholin-2-yl)methyl]carbamate

N-(3-acetamidopropyl)-4-tert-butylpiperidine-1-carboxamide;4-tert-butyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]piperidine-1-carboxamide;2-[(4-tert-butylmorpholin-2-yl)methoxy]ethanamine;1-[(4-tert-butylmorpholin-2-yl)methyl]-3-cyclopropylurea;N'-[(4-tert-butylmorpholin-2-yl)methyl]ethane-1,2-diamine;4-tert-butyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine-1-carboxamide;propan-2-yl N-[(4-tert-butylmorpholin-2-yl)methyl]carbamate (PubChem CID 158248407) has the molecular formula C101H203N19O13 and a molecular weight of 1891.85 g/mol. Its IUPAC name is N-(3-acetamidopropyl)-4-tert-butylpiperidine-1-carboxamide;4-tert-butyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]piperidine-1-carboxamide;2-[(4-tert-butylmorpholin-2-yl)methoxy]ethanamine;1-[(4-tert-butylmorpholin-2-yl)methyl]-3-cyclopropylurea;N'-[(4-tert-butylmorpholin-2-yl)methyl]ethane-1,2-diamine;4-tert-butyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine-1-carboxamide;propan-2-yl N-[(4-tert-butylmorpholin-2-yl)methyl]carbamate.

Molecular Properties

Compound NameN-(3-acetamidopropyl)-4-tert-butylpiperidine-1-carboxamide;4-tert-butyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]piperidine-1-carboxamide;2-[(4-tert-butylmorpholin-2-yl)methoxy]ethanamine;1-[(4-tert-butylmorpholin-2-yl)methyl]-3-cyclopropylurea;N'-[(4-tert-butylmorpholin-2-yl)methyl]ethane-1,2-diamine;4-tert-butyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine-1-carboxamide;propan-2-yl N-[(4-tert-butylmorpholin-2-yl)methyl]carbamate
PubChem CID158248407
Molecular FormulaC101H203N19O13
Molecular Weight1891.85 g/mol
Exact Mass1890.58
IUPAC NameN-(3-acetamidopropyl)-4-tert-butylpiperidine-1-carboxamide;4-tert-butyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]piperidine-1-carboxamide;2-[(4-tert-butylmorpholin-2-yl)methoxy]ethanamine;1-[(4-tert-butylmorpholin-2-yl)methyl]-3-cyclopropylurea;N'-[(4-tert-butylmorpholin-2-yl)methyl]ethane-1,2-diamine;4-tert-butyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine-1-carboxamide;propan-2-yl N-[(4-tert-butylmorpholin-2-yl)methyl]carbamate
SMILESCC(=O)NCCCNC(=O)N1CCC(C(C)(C)C)CC1.CC(C)(C)N1CCOC(CNC(=O)NC2CC2)C1.CC(C)(C)N1CCOC(CNCCN)C1.CC(C)(C)N1CCOC(COCCN)C1.CC(C)N1CCC(CNC(=O)N2CCC(C(C)(C)C)CC2)CC1.CC(C)OC(=O)NCC1CN(C(C)(C)C)CCO1.COCCN1CCC(CNC(=O)N2CCC(C(C)(C)C)CC2)CC1
InChIInChI=1S/C19H37N3O2.C19H37N3O.C15H29N3O2.C13H25N3O2.C13H26N2O3.C11H25N3O.C11H24N2O2/c1-19(2,3)17-7-11-22(12-8-17)18(23)20-15-16-5-9-21(10-6-16)13-14-24-4;1-15(2)21-10-6-16(7-11-21)14-20-18(23)22-12-8-17(9-13-22)19(3,4)5;1-12(19)16-8-5-9-17-14(20)18-10-6-13(7-11-18)15(2,3)4;1-13(2,3)16-6-7-18-11(9-16)8-14-12(17)15-10-4-5-10;1-10(2)18-12(16)14-8-11-9-15(6-7-17-11)13(3,4)5;1-11(2,3)14-6-7-15-10(9-14)8-13-5-4-12;1-11(2,3)13-5-7-15-10(8-13)9-14-6-4-12/h16-17H,5-15H2,1-4H3,(H,20,23);15-17H,6-14H2,1-5H3,(H,20,23);13H,5-11H2,1-4H3,(H,16,19)(H,17,20);10-11H,4-9H2,1-3H3,(H2,14,15,17);10-11H,6-9H2,1-5H3,(H,14,16);10,13H,4-9,12H2,1-3H3;10H,4-9,12H2,1-3H3
InChIKeyGGKHWXFPUAVWQT-UHFFFAOYSA-N
XLogP11.43
TPSA344.47 Ų
H-Bond Donors10
H-Bond Acceptors22
Rotatable Bonds26
Heavy Atoms133
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001891.85
LogP ≤ 511.43
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

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

Analyze N-(3-acetamidopropyl)-4-tert-butylpiperidine-1-carboxamide;4-tert-butyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]piperidine-1-carboxamide;2-[(4-tert-butylmorpholin-2-yl)methoxy]ethanamine;1-[(4-tert-butylmorpholin-2-yl)methyl]-3-cyclopropylurea;N'-[(4-tert-butylmorpholin-2-yl)methyl]ethane-1,2-diamine;4-tert-butyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine-1-carboxamide;propan-2-yl N-[(4-tert-butylmorpholin-2-yl)methyl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidopropyl)-4-tert-butylpiperidine-1-carboxamide;4-tert-butyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]piperidine-1-carboxamide;2-[(4-tert-butylmorpholin-2-yl)methoxy]ethanamine;1-[(4-tert-butylmorpholin-2-yl)methyl]-3-cyclopropylurea;N'-[(4-tert-butylmorpholin-2-yl)methyl]ethane-1,2-diamine;4-tert-butyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine-1-carboxamide;propan-2-yl N-[(4-tert-butylmorpholin-2-yl)methyl]carbamate?
The IUPAC name of N-(3-acetamidopropyl)-4-tert-butylpiperidine-1-carboxamide;4-tert-butyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]piperidine-1-carboxamide;2-[(4-tert-butylmorpholin-2-yl)methoxy]ethanamine;1-[(4-tert-butylmorpholin-2-yl)methyl]-3-cyclopropylurea;N'-[(4-tert-butylmorpholin-2-yl)methyl]ethane-1,2-diamine;4-tert-butyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine-1-carboxamide;propan-2-yl N-[(4-tert-butylmorpholin-2-yl)methyl]carbamate (CID 158248407) is N-(3-acetamidopropyl)-4-tert-butylpiperidine-1-carboxamide;4-tert-butyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]piperidine-1-carboxamide;2-[(4-tert-butylmorpholin-2-yl)methoxy]ethanamine;1-[(4-tert-butylmorpholin-2-yl)methyl]-3-cyclopropylurea;N'-[(4-tert-butylmorpholin-2-yl)methyl]ethane-1,2-diamine;4-tert-butyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine-1-carboxamide;propan-2-yl N-[(4-tert-butylmorpholin-2-yl)methyl]carbamate.
What is the SMILES notation for N-(3-acetamidopropyl)-4-tert-butylpiperidine-1-carboxamide;4-tert-butyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]piperidine-1-carboxamide;2-[(4-tert-butylmorpholin-2-yl)methoxy]ethanamine;1-[(4-tert-butylmorpholin-2-yl)methyl]-3-cyclopropylurea;N'-[(4-tert-butylmorpholin-2-yl)methyl]ethane-1,2-diamine;4-tert-butyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine-1-carboxamide;propan-2-yl N-[(4-tert-butylmorpholin-2-yl)methyl]carbamate?
The canonical SMILES for N-(3-acetamidopropyl)-4-tert-butylpiperidine-1-carboxamide;4-tert-butyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]piperidine-1-carboxamide;2-[(4-tert-butylmorpholin-2-yl)methoxy]ethanamine;1-[(4-tert-butylmorpholin-2-yl)methyl]-3-cyclopropylurea;N'-[(4-tert-butylmorpholin-2-yl)methyl]ethane-1,2-diamine;4-tert-butyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine-1-carboxamide;propan-2-yl N-[(4-tert-butylmorpholin-2-yl)methyl]carbamate is CC(=O)NCCCNC(=O)N1CCC(C(C)(C)C)CC1.CC(C)(C)N1CCOC(CNC(=O)NC2CC2)C1.CC(C)(C)N1CCOC(CNCCN)C1.CC(C)(C)N1CCOC(COCCN)C1.CC(C)N1CCC(CNC(=O)N2CCC(C(C)(C)C)CC2)CC1.CC(C)OC(=O)NCC1CN(C(C)(C)C)CCO1.COCCN1CCC(CNC(=O)N2CCC(C(C)(C)C)CC2)CC1.
What is the InChIKey of N-(3-acetamidopropyl)-4-tert-butylpiperidine-1-carboxamide;4-tert-butyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]piperidine-1-carboxamide;2-[(4-tert-butylmorpholin-2-yl)methoxy]ethanamine;1-[(4-tert-butylmorpholin-2-yl)methyl]-3-cyclopropylurea;N'-[(4-tert-butylmorpholin-2-yl)methyl]ethane-1,2-diamine;4-tert-butyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine-1-carboxamide;propan-2-yl N-[(4-tert-butylmorpholin-2-yl)methyl]carbamate?
The InChIKey is GGKHWXFPUAVWQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N3O2.C19H37N3O.C15H29N3O2.C13H25N3O2.C13H26N2O3.C11H25N3O.C11H24N2O2/c1-19(2,3)17-7-11-22(12-8-17)18(23)20-15-16-5-9-21(10-6-16)13-14-24-4;1-15(2)21-10-6-16(7-11-21)14-20-18(23)22-12-8-17(9-13-22)19(3,4)5;1-12(19)16-8-5-9-17-14(20)18-10-6-13(7-11-18)15(2,3)4;1-13(2,3)16-6-7-18-11(9-16)8-14-12(17)15-10-4-5-10;1-10(2)18-12(16)14-8-11-9-15(6-7-17-11)13(3,4)5;1-11(2,3)14-6-7-15-10(9-14)8-13-5-4-12;1-11(2,3)13-5-7-15-10(8-13)9-14-6-4-12/h16-17H,5-15H2,1-4H3,(H,20,23);15-17H,6-14H2,1-5H3,(H,20,23);13H,5-11H2,1-4H3,(H,16,19)(H,17,20);10-11H,4-9H2,1-3H3,(H2,14,15,17);10-11H,6-9H2,1-5H3,(H,14,16);10,13H,4-9,12H2,1-3H3;10H,4-9,12H2,1-3H3.
What are the key properties of N-(3-acetamidopropyl)-4-tert-butylpiperidine-1-carboxamide;4-tert-butyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]piperidine-1-carboxamide;2-[(4-tert-butylmorpholin-2-yl)methoxy]ethanamine;1-[(4-tert-butylmorpholin-2-yl)methyl]-3-cyclopropylurea;N'-[(4-tert-butylmorpholin-2-yl)methyl]ethane-1,2-diamine;4-tert-butyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine-1-carboxamide;propan-2-yl N-[(4-tert-butylmorpholin-2-yl)methyl]carbamate?
N-(3-acetamidopropyl)-4-tert-butylpiperidine-1-carboxamide;4-tert-butyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]piperidine-1-carboxamide;2-[(4-tert-butylmorpholin-2-yl)methoxy]ethanamine;1-[(4-tert-butylmorpholin-2-yl)methyl]-3-cyclopropylurea;N'-[(4-tert-butylmorpholin-2-yl)methyl]ethane-1,2-diamine;4-tert-butyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine-1-carboxamide;propan-2-yl N-[(4-tert-butylmorpholin-2-yl)methyl]carbamate has a molecular weight of 1891.85 g/mol, XLogP of 11.43, 26 rotatable bonds, 10 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidopropyl)-4-tert-butylpiperidine-1-carboxamide;4-tert-butyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]piperidine-1-carboxamide;2-[(4-tert-butylmorpholin-2-yl)methoxy]ethanamine;1-[(4-tert-butylmorpholin-2-yl)methyl]-3-cyclopropylurea;N'-[(4-tert-butylmorpholin-2-yl)methyl]ethane-1,2-diamine;4-tert-butyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine-1-carboxamide;propan-2-yl N-[(4-tert-butylmorpholin-2-yl)methyl]carbamate is sourced from PubChem (CID 158248407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).