N-[(1R,2R)-2-[(2-methylbenzoyl)amino]cyclohexyl]-1-nonanoylpiperidine-4-carboxamide

C29H45N3O3 — CID 51071092

IUPACN-[(1R,2R)-2-[(2-methylbenzoyl)amino]cyclohexyl]-1-nonanoylpiperidine-4-carboxamide
SMILESCCCCCCCCC(=O)N1CCC(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2ccccc2C)CC1
InChIInChI=1S/C29H45N3O3/c1-3-4-5-6-7-8-17-27(33)32-20-18-23(19-21-32)28(34)30-25-15-11-12-16-26(25)31-29(35)24-14-10-9-13-22(24)2/h9-10,13-14,23,25-26H,3-8,11-12,15-21H2,1-2H3,(H,30,34)(H,31,35)/t25-,26-/m1/s1
InChIKeyGOLHPZXJOIVIMG-CLJLJLNGSA-N
MW483.70 g/mol
LogP5.14
Rot. Bonds11

About N-[(1R,2R)-2-[(2-methylbenzoyl)amino]cyclohexyl]-1-nonanoylpiperidine-4-carboxamide

N-[(1R,2R)-2-[(2-methylbenzoyl)amino]cyclohexyl]-1-nonanoylpiperidine-4-carboxamide (PubChem CID 51071092) has the molecular formula C29H45N3O3 and a molecular weight of 483.70 g/mol. Its IUPAC name is N-[(1R,2R)-2-[(2-methylbenzoyl)amino]cyclohexyl]-1-nonanoylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-[(2-methylbenzoyl)amino]cyclohexyl]-1-nonanoylpiperidine-4-carboxamide
PubChem CID51071092
Molecular FormulaC29H45N3O3
Molecular Weight483.70 g/mol
Exact Mass483.35
IUPAC NameN-[(1R,2R)-2-[(2-methylbenzoyl)amino]cyclohexyl]-1-nonanoylpiperidine-4-carboxamide
SMILESCCCCCCCCC(=O)N1CCC(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2ccccc2C)CC1
InChIInChI=1S/C29H45N3O3/c1-3-4-5-6-7-8-17-27(33)32-20-18-23(19-21-32)28(34)30-25-15-11-12-16-26(25)31-29(35)24-14-10-9-13-22(24)2/h9-10,13-14,23,25-26H,3-8,11-12,15-21H2,1-2H3,(H,30,34)(H,31,35)/t25-,26-/m1/s1
InChIKeyGOLHPZXJOIVIMG-CLJLJLNGSA-N
XLogP5.14
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.70
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(1R,2R)-2-[(2-methylbenzoyl)amino]cyclohexyl]-1-nonanoylpiperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-1-butanoyl-N-[(1R,2R)-2-[(2-methylbenzoyl)amino]cyclohexyl]piperidine-3-carboxamide
CID 93013762
(3S)-N-[(1R,2R)-2-[(2-methylbenzoyl)amino]cyclohexyl]-1-(3-phenylpropanoyl)piperidine-3-carboxamide
CID 93013795
1-(4-methoxybenzoyl)-N-[(2R)-2-[(2-methylbenzoyl)amino]cyclohexyl]piperidine-4-carboxamide
CID 46170920
2-methyl-N-[(1S,2S)-2-[(2-methylbenzoyl)amino]cyclohexyl]benzamide
CID 979091
N-[(1R,2R)-2-benzamidocyclohexyl]-1-propanoylpiperidine-4-carboxamide
CID 51071021
(3S)-1-(cyclohexanecarbonyl)-N-[(1R,2R)-2-[(2-methylbenzoyl)amino]cyclohexyl]piperidine-3-carboxamide
CID 93013781
(3R)-1-(cyclobutanecarbonyl)-N-[(1R,2R)-2-[(2-methylbenzoyl)amino]cyclohexyl]piperidine-3-carboxamide
CID 93013804
1-(cyclopropanecarbonyl)-N-[(1R,2R)-2-[(2-methylbenzoyl)amino]cyclohexyl]piperidine-3-carboxamide
CID 51071254
(3R)-N-[(1R,2R)-2-[(4-fluorobenzoyl)amino]cyclohexyl]-1-heptanoylpiperidine-3-carboxamide
CID 93013723
N-[(1R,2R)-2-benzamidocyclohexyl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide
CID 51071042
N-[(2R)-2-benzamidocyclohexyl]-1-octylsulfonylpiperidine-4-carboxamide
CID 46104149
(3R)-1-(2-bromobenzoyl)-N-[(1R,2R)-2-[(2-methylbenzoyl)amino]cyclohexyl]piperidine-3-carboxamide
CID 93013816

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-[(2-methylbenzoyl)amino]cyclohexyl]-1-nonanoylpiperidine-4-carboxamide?
The IUPAC name of N-[(1R,2R)-2-[(2-methylbenzoyl)amino]cyclohexyl]-1-nonanoylpiperidine-4-carboxamide (CID 51071092) is N-[(1R,2R)-2-[(2-methylbenzoyl)amino]cyclohexyl]-1-nonanoylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(1R,2R)-2-[(2-methylbenzoyl)amino]cyclohexyl]-1-nonanoylpiperidine-4-carboxamide?
The canonical SMILES for N-[(1R,2R)-2-[(2-methylbenzoyl)amino]cyclohexyl]-1-nonanoylpiperidine-4-carboxamide is CCCCCCCCC(=O)N1CCC(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2ccccc2C)CC1.
What is the InChIKey of N-[(1R,2R)-2-[(2-methylbenzoyl)amino]cyclohexyl]-1-nonanoylpiperidine-4-carboxamide?
The InChIKey is GOLHPZXJOIVIMG-CLJLJLNGSA-N. The full InChI is InChI=1S/C29H45N3O3/c1-3-4-5-6-7-8-17-27(33)32-20-18-23(19-21-32)28(34)30-25-15-11-12-16-26(25)31-29(35)24-14-10-9-13-22(24)2/h9-10,13-14,23,25-26H,3-8,11-12,15-21H2,1-2H3,(H,30,34)(H,31,35)/t25-,26-/m1/s1.
What are the key properties of N-[(1R,2R)-2-[(2-methylbenzoyl)amino]cyclohexyl]-1-nonanoylpiperidine-4-carboxamide?
N-[(1R,2R)-2-[(2-methylbenzoyl)amino]cyclohexyl]-1-nonanoylpiperidine-4-carboxamide has a molecular weight of 483.70 g/mol, XLogP of 5.14, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-[(2-methylbenzoyl)amino]cyclohexyl]-1-nonanoylpiperidine-4-carboxamide is sourced from PubChem (CID 51071092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).