N-[3-(azepan-1-yl)propyl]-2-(4-methoxyphenyl)-1-methyl-6-oxopiperidine-3-carboxamide

C23H35N3O3 — CID 171143894

IUPACN-[3-(azepan-1-yl)propyl]-2-(4-methoxyphenyl)-1-methyl-6-oxopiperidine-3-carboxamide
SMILESCOc1ccc(C2C(C(=O)NCCCN3CCCCCC3)CCC(=O)N2C)cc1
InChIInChI=1S/C23H35N3O3/c1-25-21(27)13-12-20(22(25)18-8-10-19(29-2)11-9-18)23(28)24-14-7-17-26-15-5-3-4-6-16-26/h8-11,20,22H,3-7,12-17H2,1-2H3,(H,24,28)
InChIKeyYVKJBKLGNMLXMV-UHFFFAOYSA-N
MW401.55 g/mol
LogP2.99
Rot. Bonds7

About N-[3-(azepan-1-yl)propyl]-2-(4-methoxyphenyl)-1-methyl-6-oxopiperidine-3-carboxamide

N-[3-(azepan-1-yl)propyl]-2-(4-methoxyphenyl)-1-methyl-6-oxopiperidine-3-carboxamide (PubChem CID 171143894) has the molecular formula C23H35N3O3 and a molecular weight of 401.55 g/mol. Its IUPAC name is N-[3-(azepan-1-yl)propyl]-2-(4-methoxyphenyl)-1-methyl-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(azepan-1-yl)propyl]-2-(4-methoxyphenyl)-1-methyl-6-oxopiperidine-3-carboxamide
PubChem CID171143894
Molecular FormulaC23H35N3O3
Molecular Weight401.55 g/mol
Exact Mass401.27
IUPAC NameN-[3-(azepan-1-yl)propyl]-2-(4-methoxyphenyl)-1-methyl-6-oxopiperidine-3-carboxamide
SMILESCOc1ccc(C2C(C(=O)NCCCN3CCCCCC3)CCC(=O)N2C)cc1
InChIInChI=1S/C23H35N3O3/c1-25-21(27)13-12-20(22(25)18-8-10-19(29-2)11-9-18)23(28)24-14-7-17-26-15-5-3-4-6-16-26/h8-11,20,22H,3-7,12-17H2,1-2H3,(H,24,28)
InChIKeyYVKJBKLGNMLXMV-UHFFFAOYSA-N
XLogP2.99
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.55
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[3-(azepan-1-yl)propyl]-2-(4-methoxyphenyl)-1-methyl-6-oxopiperidine-3-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

2-(4-methoxyphenyl)-1-methyl-6-oxo-N-(2-piperazin-1-ylethyl)piperidine-3-carboxamide
CID 119449284
(2R,3R)-N-[3-(dimethylamino)propyl]-2-(4-methoxyphenyl)-1-methyl-6-oxopiperidine-3-carboxamide
CID 95740265
(2S,3R)-1,2-bis(4-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide
CID 92653033
2-(4-methoxyphenyl)-1-methyl-N-[3-(N-methylanilino)propyl]-6-oxopiperidine-3-carboxamide
CID 171143895
1-methyl-6-oxo-2-phenyl-N-(3-piperazin-1-ylpropyl)piperidine-3-carboxamide
CID 119392654
2-(4-fluorophenyl)-1-(4-methoxyphenyl)-N-[3-(4-methylpiperidin-1-yl)propyl]-6-oxopiperidine-3-carboxamide
CID 15994143
N-cyclopropyl-2-(4-methoxyphenyl)-1-methyl-6-oxopiperidine-3-carboxamide
CID 71689571
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-(4-methoxyphenyl)-1-methyl-6-oxopiperidine-3-carboxamide
CID 91954117
(2S,3R)-N-(furan-2-ylmethyl)-2-(4-methoxyphenyl)-1-methyl-6-oxopiperidine-3-carboxamide
CID 95740236
N-[(2R)-2-(ethylamino)propyl]-2-(4-methoxyphenyl)-1-methyl-6-oxopiperidine-3-carboxamide;hydrochloride
CID 120653334
(2R,3S)-N-[(2-fluorophenyl)methyl]-2-(4-methoxyphenyl)-1-methyl-6-oxopiperidine-3-carboxamide
CID 95740203
2-(4-methoxyphenyl)-1-methyl-6-oxo-N-(piperidin-3-ylmethyl)piperidine-3-carboxamide;hydrochloride
CID 119464682

Frequently Asked Questions

What is the IUPAC name of N-[3-(azepan-1-yl)propyl]-2-(4-methoxyphenyl)-1-methyl-6-oxopiperidine-3-carboxamide?
The IUPAC name of N-[3-(azepan-1-yl)propyl]-2-(4-methoxyphenyl)-1-methyl-6-oxopiperidine-3-carboxamide (CID 171143894) is N-[3-(azepan-1-yl)propyl]-2-(4-methoxyphenyl)-1-methyl-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-[3-(azepan-1-yl)propyl]-2-(4-methoxyphenyl)-1-methyl-6-oxopiperidine-3-carboxamide?
The canonical SMILES for N-[3-(azepan-1-yl)propyl]-2-(4-methoxyphenyl)-1-methyl-6-oxopiperidine-3-carboxamide is COc1ccc(C2C(C(=O)NCCCN3CCCCCC3)CCC(=O)N2C)cc1.
What is the InChIKey of N-[3-(azepan-1-yl)propyl]-2-(4-methoxyphenyl)-1-methyl-6-oxopiperidine-3-carboxamide?
The InChIKey is YVKJBKLGNMLXMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O3/c1-25-21(27)13-12-20(22(25)18-8-10-19(29-2)11-9-18)23(28)24-14-7-17-26-15-5-3-4-6-16-26/h8-11,20,22H,3-7,12-17H2,1-2H3,(H,24,28).
What are the key properties of N-[3-(azepan-1-yl)propyl]-2-(4-methoxyphenyl)-1-methyl-6-oxopiperidine-3-carboxamide?
N-[3-(azepan-1-yl)propyl]-2-(4-methoxyphenyl)-1-methyl-6-oxopiperidine-3-carboxamide has a molecular weight of 401.55 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(azepan-1-yl)propyl]-2-(4-methoxyphenyl)-1-methyl-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 171143894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).