N-butyl-N-[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]acetamide;N-[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]-2-methylprop-2-enamide;N-[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]naphthalene-1-carboxamide;N-[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]prop-2-enamide;[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]urea

C125H193N11O10 — CID 162229309

IUPACN-butyl-N-[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]acetamide;N-[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]-2-methylprop-2-enamide;N-[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]naphthalene-1-carboxamide;N-[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]prop-2-enamide;[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]urea
SMILESC=C(C)C(=O)NC1CC(C)(CC)N(OC(C)c2ccccc2)C(C)(CC)C1C.C=CC(=O)NC1CC(C)(CC)N(OC(C)c2ccccc2)C(C)(CC)C1C.CCC1(C)CC(NC(=O)c2cccc3ccccc23)C(C)C(C)(CC)N1OC(C)c1ccccc1.CCC1(C)CC(NC(N)=O)C(C)C(C)(CC)N1OC(C)c1ccccc1.CCCCN(C(C)=O)C1CC(C)(CC)N(OC(C)c2ccccc2)C(C)(CC)C1C
InChIInChI=1S/C31H40N2O2.C26H44N2O2.C24H38N2O2.C23H36N2O2.C21H35N3O2/c1-7-30(5)21-28(32-29(34)27-20-14-18-25-17-12-13-19-26(25)27)22(3)31(6,8-2)33(30)35-23(4)24-15-10-9-11-16-24;1-9-12-18-27(22(6)29)24-19-25(7,10-2)28(26(8,11-3)20(24)4)30-21(5)23-16-14-13-15-17-23;1-9-23(7)16-21(25-22(27)17(3)4)18(5)24(8,10-2)26(23)28-19(6)20-14-12-11-13-15-20;1-8-21(26)24-20-16-22(6,9-2)25(23(7,10-3)17(20)4)27-18(5)19-14-12-11-13-15-19;1-7-20(5)14-18(23-19(22)25)15(3)21(6,8-2)24(20)26-16(4)17-12-10-9-11-13-17/h9-20,22-23,28H,7-8,21H2,1-6H3,(H,32,34);13-17,20-21,24H,9-12,18-19H2,1-8H3;11-15,18-19,21H,3,9-10,16H2,1-2,4-8H3,(H,25,27);8,11-15,17-18,20H,1,9-10,16H2,2-7H3,(H,24,26);9-13,15-16,18H,7-8,14H2,1-6H3,(H3,22,23,25)
InChIKeyZVEVCHIFJJVAGI-UHFFFAOYSA-N
MW2009.99 g/mol
LogP28.53
Rot. Bonds36

About N-butyl-N-[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]acetamide;N-[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]-2-methylprop-2-enamide;N-[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]naphthalene-1-carboxamide;N-[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]prop-2-enamide;[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]urea

N-butyl-N-[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]acetamide;N-[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]-2-methylprop-2-enamide;N-[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]naphthalene-1-carboxamide;N-[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]prop-2-enamide;[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]urea (PubChem CID 162229309) has the molecular formula C125H193N11O10 and a molecular weight of 2009.99 g/mol. Its IUPAC name is N-butyl-N-[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]acetamide;N-[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]-2-methylprop-2-enamide;N-[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]naphthalene-1-carboxamide;N-[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]prop-2-enamide;[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]urea.

Molecular Properties

Compound NameN-butyl-N-[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]acetamide;N-[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]-2-methylprop-2-enamide;N-[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]naphthalene-1-carboxamide;N-[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]prop-2-enamide;[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]urea
PubChem CID162229309
Molecular FormulaC125H193N11O10
Molecular Weight2009.99 g/mol
Exact Mass2008.49
IUPAC NameN-butyl-N-[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]acetamide;N-[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]-2-methylprop-2-enamide;N-[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]naphthalene-1-carboxamide;N-[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]prop-2-enamide;[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]urea
SMILESC=C(C)C(=O)NC1CC(C)(CC)N(OC(C)c2ccccc2)C(C)(CC)C1C.C=CC(=O)NC1CC(C)(CC)N(OC(C)c2ccccc2)C(C)(CC)C1C.CCC1(C)CC(NC(=O)c2cccc3ccccc23)C(C)C(C)(CC)N1OC(C)c1ccccc1.CCC1(C)CC(NC(N)=O)C(C)C(C)(CC)N1OC(C)c1ccccc1.CCCCN(C(C)=O)C1CC(C)(CC)N(OC(C)c2ccccc2)C(C)(CC)C1C
InChIInChI=1S/C31H40N2O2.C26H44N2O2.C24H38N2O2.C23H36N2O2.C21H35N3O2/c1-7-30(5)21-28(32-29(34)27-20-14-18-25-17-12-13-19-26(25)27)22(3)31(6,8-2)33(30)35-23(4)24-15-10-9-11-16-24;1-9-12-18-27(22(6)29)24-19-25(7,10-2)28(26(8,11-3)20(24)4)30-21(5)23-16-14-13-15-17-23;1-9-23(7)16-21(25-22(27)17(3)4)18(5)24(8,10-2)26(23)28-19(6)20-14-12-11-13-15-20;1-8-21(26)24-20-16-22(6,9-2)25(23(7,10-3)17(20)4)27-18(5)19-14-12-11-13-15-19;1-7-20(5)14-18(23-19(22)25)15(3)21(6,8-2)24(20)26-16(4)17-12-10-9-11-13-17/h9-20,22-23,28H,7-8,21H2,1-6H3,(H,32,34);13-17,20-21,24H,9-12,18-19H2,1-8H3;11-15,18-19,21H,3,9-10,16H2,1-2,4-8H3,(H,25,27);8,11-15,17-18,20H,1,9-10,16H2,2-7H3,(H,24,26);9-13,15-16,18H,7-8,14H2,1-6H3,(H3,22,23,25)
InChIKeyZVEVCHIFJJVAGI-UHFFFAOYSA-N
XLogP28.53
TPSA225.08 Ų
H-Bond Donors5
H-Bond Acceptors15
Rotatable Bonds36
Heavy Atoms146
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002009.99
LogP ≤ 528.53
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-butyl-N-[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]acetamide;N-[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]-2-methylprop-2-enamide;N-[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]naphthalene-1-carboxamide;N-[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]prop-2-enamide;[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]urea with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]acetamide;N-[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]-2-methylprop-2-enamide;N-[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]naphthalene-1-carboxamide;N-[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]prop-2-enamide;[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]urea?
The IUPAC name of N-butyl-N-[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]acetamide;N-[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]-2-methylprop-2-enamide;N-[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]naphthalene-1-carboxamide;N-[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]prop-2-enamide;[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]urea (CID 162229309) is N-butyl-N-[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]acetamide;N-[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]-2-methylprop-2-enamide;N-[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]naphthalene-1-carboxamide;N-[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]prop-2-enamide;[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]urea.
What is the SMILES notation for N-butyl-N-[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]acetamide;N-[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]-2-methylprop-2-enamide;N-[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]naphthalene-1-carboxamide;N-[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]prop-2-enamide;[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]urea?
The canonical SMILES for N-butyl-N-[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]acetamide;N-[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]-2-methylprop-2-enamide;N-[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]naphthalene-1-carboxamide;N-[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]prop-2-enamide;[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]urea is C=C(C)C(=O)NC1CC(C)(CC)N(OC(C)c2ccccc2)C(C)(CC)C1C.C=CC(=O)NC1CC(C)(CC)N(OC(C)c2ccccc2)C(C)(CC)C1C.CCC1(C)CC(NC(=O)c2cccc3ccccc23)C(C)C(C)(CC)N1OC(C)c1ccccc1.CCC1(C)CC(NC(N)=O)C(C)C(C)(CC)N1OC(C)c1ccccc1.CCCCN(C(C)=O)C1CC(C)(CC)N(OC(C)c2ccccc2)C(C)(CC)C1C.
What is the InChIKey of N-butyl-N-[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]acetamide;N-[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]-2-methylprop-2-enamide;N-[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]naphthalene-1-carboxamide;N-[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]prop-2-enamide;[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]urea?
The InChIKey is ZVEVCHIFJJVAGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H40N2O2.C26H44N2O2.C24H38N2O2.C23H36N2O2.C21H35N3O2/c1-7-30(5)21-28(32-29(34)27-20-14-18-25-17-12-13-19-26(25)27)22(3)31(6,8-2)33(30)35-23(4)24-15-10-9-11-16-24;1-9-12-18-27(22(6)29)24-19-25(7,10-2)28(26(8,11-3)20(24)4)30-21(5)23-16-14-13-15-17-23;1-9-23(7)16-21(25-22(27)17(3)4)18(5)24(8,10-2)26(23)28-19(6)20-14-12-11-13-15-20;1-8-21(26)24-20-16-22(6,9-2)25(23(7,10-3)17(20)4)27-18(5)19-14-12-11-13-15-19;1-7-20(5)14-18(23-19(22)25)15(3)21(6,8-2)24(20)26-16(4)17-12-10-9-11-13-17/h9-20,22-23,28H,7-8,21H2,1-6H3,(H,32,34);13-17,20-21,24H,9-12,18-19H2,1-8H3;11-15,18-19,21H,3,9-10,16H2,1-2,4-8H3,(H,25,27);8,11-15,17-18,20H,1,9-10,16H2,2-7H3,(H,24,26);9-13,15-16,18H,7-8,14H2,1-6H3,(H3,22,23,25).
What are the key properties of N-butyl-N-[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]acetamide;N-[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]-2-methylprop-2-enamide;N-[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]naphthalene-1-carboxamide;N-[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]prop-2-enamide;[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]urea?
N-butyl-N-[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]acetamide;N-[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]-2-methylprop-2-enamide;N-[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]naphthalene-1-carboxamide;N-[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]prop-2-enamide;[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]urea has a molecular weight of 2009.99 g/mol, XLogP of 28.53, 36 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]acetamide;N-[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]-2-methylprop-2-enamide;N-[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]naphthalene-1-carboxamide;N-[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]prop-2-enamide;[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]urea is sourced from PubChem (CID 162229309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).