(2R)-N-(4-aminocyclohexyl)-4-[benzyl(2-methoxyethyl)amino]-1-(4-methylbenzoyl)piperidine-2-carboxamide

C30H42N4O3 — CID 23989110

IUPAC(2R)-N-(4-aminocyclohexyl)-4-[benzyl(2-methoxyethyl)amino]-1-(4-methylbenzoyl)piperidine-2-carboxamide
SMILESCOCCN(Cc1ccccc1)C1CCN(C(=O)c2ccc(C)cc2)[C@@H](C(=O)NC2CCC(N)CC2)C1
InChIInChI=1S/C30H42N4O3/c1-22-8-10-24(11-9-22)30(36)34-17-16-27(33(18-19-37-2)21-23-6-4-3-5-7-23)20-28(34)29(35)32-26-14-12-25(31)13-15-26/h3-11,25-28H,12-21,31H2,1-2H3,(H,32,35)/t25?,26?,27?,28-/m1/s1
InChIKeyPWJBFGJAPJJYFK-HLTHPTTOSA-N
MW506.69 g/mol
LogP3.50
Rot. Bonds9

About (2R)-N-(4-aminocyclohexyl)-4-[benzyl(2-methoxyethyl)amino]-1-(4-methylbenzoyl)piperidine-2-carboxamide

(2R)-N-(4-aminocyclohexyl)-4-[benzyl(2-methoxyethyl)amino]-1-(4-methylbenzoyl)piperidine-2-carboxamide (PubChem CID 23989110) has the molecular formula C30H42N4O3 and a molecular weight of 506.69 g/mol. Its IUPAC name is (2R)-N-(4-aminocyclohexyl)-4-[benzyl(2-methoxyethyl)amino]-1-(4-methylbenzoyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(4-aminocyclohexyl)-4-[benzyl(2-methoxyethyl)amino]-1-(4-methylbenzoyl)piperidine-2-carboxamide
PubChem CID23989110
Molecular FormulaC30H42N4O3
Molecular Weight506.69 g/mol
Exact Mass506.33
IUPAC Name(2R)-N-(4-aminocyclohexyl)-4-[benzyl(2-methoxyethyl)amino]-1-(4-methylbenzoyl)piperidine-2-carboxamide
SMILESCOCCN(Cc1ccccc1)C1CCN(C(=O)c2ccc(C)cc2)[C@@H](C(=O)NC2CCC(N)CC2)C1
InChIInChI=1S/C30H42N4O3/c1-22-8-10-24(11-9-22)30(36)34-17-16-27(33(18-19-37-2)21-23-6-4-3-5-7-23)20-28(34)29(35)32-26-14-12-25(31)13-15-26/h3-11,25-28H,12-21,31H2,1-2H3,(H,32,35)/t25?,26?,27?,28-/m1/s1
InChIKeyPWJBFGJAPJJYFK-HLTHPTTOSA-N
XLogP3.50
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.69
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R)-N-(4-aminocyclohexyl)-4-[benzyl(2-methoxyethyl)amino]-1-(4-methylbenzoyl)piperidine-2-carboxamide with MolForge

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Related Compounds

(2R)-1-acetyl-N-(4-aminocyclohexyl)-4-[2-methoxyethyl-[(4-methylphenyl)methyl]amino]piperidine-2-carboxamide
CID 23933944
(2R)-N-(4-aminocyclohexyl)-4-[benzyl-[(3-methoxyphenyl)methyl]amino]-1-(4-methylbenzoyl)piperidine-2-carboxamide
CID 23993711
(2R)-N-(4-aminocyclohexyl)-4-[benzyl(2-methoxyethyl)amino]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 23793454
(2R)-N-(4-aminocyclohexyl)-4-[(4-cyanophenyl)methyl-(2-phenylethyl)amino]-1-(4-fluorobenzoyl)piperidine-2-carboxamide
CID 23761837
(2R)-1-acetyl-N-(4-aminocyclohexyl)-4-[2-methoxyethyl-[(5-methylthiophen-2-yl)methyl]amino]piperidine-2-carboxamide
CID 23734948
(2R)-1-acetyl-N-(4-aminocyclohexyl)-4-[benzyl(2-methylpropyl)amino]piperidine-2-carboxamide
CID 23795098
N-(4-aminocyclohexyl)-4-[(4-fluorophenyl)methyl-(2-methoxyethyl)amino]-1-(2-methoxyacetyl)pyrrolidine-2-carboxamide
CID 23819307
(2R)-1-acetyl-N-(4-aminocyclohexyl)-4-[(4-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]piperidine-2-carboxamide
CID 23795951
N-(4-aminocyclohexyl)-4-[(4-methylphenyl)methyl-(thiophen-2-ylmethyl)amino]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 23762259
(2R)-N-(4-aminocyclohexyl)-4-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-1-(2-methoxyacetyl)piperidine-2-carboxamide
CID 23762319
N-(4-aminocyclohexyl)-4-[benzyl(2-morpholin-4-ylethyl)amino]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 23851007
(2R)-N-(2-aminoethyl)-4-[(4-cyanophenyl)methyl-[(3-methoxyphenyl)methyl]amino]-1-(4-methylbenzoyl)piperidine-2-carboxamide
CID 23792648

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-aminocyclohexyl)-4-[benzyl(2-methoxyethyl)amino]-1-(4-methylbenzoyl)piperidine-2-carboxamide?
The IUPAC name of (2R)-N-(4-aminocyclohexyl)-4-[benzyl(2-methoxyethyl)amino]-1-(4-methylbenzoyl)piperidine-2-carboxamide (CID 23989110) is (2R)-N-(4-aminocyclohexyl)-4-[benzyl(2-methoxyethyl)amino]-1-(4-methylbenzoyl)piperidine-2-carboxamide.
What is the SMILES notation for (2R)-N-(4-aminocyclohexyl)-4-[benzyl(2-methoxyethyl)amino]-1-(4-methylbenzoyl)piperidine-2-carboxamide?
The canonical SMILES for (2R)-N-(4-aminocyclohexyl)-4-[benzyl(2-methoxyethyl)amino]-1-(4-methylbenzoyl)piperidine-2-carboxamide is COCCN(Cc1ccccc1)C1CCN(C(=O)c2ccc(C)cc2)[C@@H](C(=O)NC2CCC(N)CC2)C1.
What is the InChIKey of (2R)-N-(4-aminocyclohexyl)-4-[benzyl(2-methoxyethyl)amino]-1-(4-methylbenzoyl)piperidine-2-carboxamide?
The InChIKey is PWJBFGJAPJJYFK-HLTHPTTOSA-N. The full InChI is InChI=1S/C30H42N4O3/c1-22-8-10-24(11-9-22)30(36)34-17-16-27(33(18-19-37-2)21-23-6-4-3-5-7-23)20-28(34)29(35)32-26-14-12-25(31)13-15-26/h3-11,25-28H,12-21,31H2,1-2H3,(H,32,35)/t25?,26?,27?,28-/m1/s1.
What are the key properties of (2R)-N-(4-aminocyclohexyl)-4-[benzyl(2-methoxyethyl)amino]-1-(4-methylbenzoyl)piperidine-2-carboxamide?
(2R)-N-(4-aminocyclohexyl)-4-[benzyl(2-methoxyethyl)amino]-1-(4-methylbenzoyl)piperidine-2-carboxamide has a molecular weight of 506.69 g/mol, XLogP of 3.50, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-aminocyclohexyl)-4-[benzyl(2-methoxyethyl)amino]-1-(4-methylbenzoyl)piperidine-2-carboxamide is sourced from PubChem (CID 23989110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).