(3S)-N-(6-chloro-3-pyridinyl)-1-(4-methoxynaphthalene-1-carbonyl)piperidine-3-carboxamide

C23H22ClN3O3 — CID 97000078

IUPAC(3S)-N-(6-chloro-3-pyridinyl)-1-(4-methoxynaphthalene-1-carbonyl)piperidine-3-carboxamide
SMILESCOc1ccc(C(=O)N2CCC[C@H](C(=O)Nc3ccc(Cl)nc3)C2)c2ccccc12
InChIInChI=1S/C23H22ClN3O3/c1-30-20-10-9-19(17-6-2-3-7-18(17)20)23(29)27-12-4-5-15(14-27)22(28)26-16-8-11-21(24)25-13-16/h2-3,6-11,13,15H,4-5,12,14H2,1H3,(H,26,28)/t15-/m0/s1
InChIKeyBMPYHGOKTWITKZ-HNNXBMFYSA-N
MW423.90 g/mol
LogP4.39
Rot. Bonds4

About (3S)-N-(6-chloro-3-pyridinyl)-1-(4-methoxynaphthalene-1-carbonyl)piperidine-3-carboxamide

(3S)-N-(6-chloro-3-pyridinyl)-1-(4-methoxynaphthalene-1-carbonyl)piperidine-3-carboxamide (PubChem CID 97000078) has the molecular formula C23H22ClN3O3 and a molecular weight of 423.90 g/mol. Its IUPAC name is (3S)-N-(6-chloro-3-pyridinyl)-1-(4-methoxynaphthalene-1-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(6-chloro-3-pyridinyl)-1-(4-methoxynaphthalene-1-carbonyl)piperidine-3-carboxamide
PubChem CID97000078
Molecular FormulaC23H22ClN3O3
Molecular Weight423.90 g/mol
Exact Mass423.13
IUPAC Name(3S)-N-(6-chloro-3-pyridinyl)-1-(4-methoxynaphthalene-1-carbonyl)piperidine-3-carboxamide
SMILESCOc1ccc(C(=O)N2CCC[C@H](C(=O)Nc3ccc(Cl)nc3)C2)c2ccccc12
InChIInChI=1S/C23H22ClN3O3/c1-30-20-10-9-19(17-6-2-3-7-18(17)20)23(29)27-12-4-5-15(14-27)22(28)26-16-8-11-21(24)25-13-16/h2-3,6-11,13,15H,4-5,12,14H2,1H3,(H,26,28)/t15-/m0/s1
InChIKeyBMPYHGOKTWITKZ-HNNXBMFYSA-N
XLogP4.39
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.90
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze (3S)-N-(6-chloro-3-pyridinyl)-1-(4-methoxynaphthalene-1-carbonyl)piperidine-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

(3R)-1-(4-methoxynaphthalene-1-carbonyl)-N-phenylpiperidine-3-carboxamide
CID 25493135
N-(3,5-difluorophenyl)-1-(4-methoxynaphthalene-1-carbonyl)piperidine-3-carboxamide
CID 42923438
N-(5-bromo-2-pyridinyl)-1-(4-methoxynaphthalene-1-carbonyl)piperidine-3-carboxamide
CID 112798153
N-(3-fluoro-4-methylphenyl)-1-(4-methoxynaphthalene-1-carbonyl)piperidine-3-carboxamide
CID 45355215
N-(3-fluorophenyl)-1-(4-methoxynaphthalene-1-carbonyl)piperidine-3-carboxamide
CID 45355150
1-(2,3-dimethoxybenzoyl)-N-phenylpiperidine-3-carboxamide
CID 18124202
(3S)-1-(2-chlorobenzoyl)-N-(3,5-dimethoxyphenyl)piperidine-3-carboxamide
CID 94082311
(3S)-1-(2,3,4-trimethoxybenzoyl)piperidine-3-carboxylic acid
CID 119113565
(3R)-1-(2-methoxybenzoyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 94132003
N-[4-(2-methoxyethoxy)phenyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 46433629
N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 55956395
(3S)-3-N-(3-chloro-4-methoxyphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 26586333

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(6-chloro-3-pyridinyl)-1-(4-methoxynaphthalene-1-carbonyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-N-(6-chloro-3-pyridinyl)-1-(4-methoxynaphthalene-1-carbonyl)piperidine-3-carboxamide (CID 97000078) is (3S)-N-(6-chloro-3-pyridinyl)-1-(4-methoxynaphthalene-1-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(6-chloro-3-pyridinyl)-1-(4-methoxynaphthalene-1-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-(6-chloro-3-pyridinyl)-1-(4-methoxynaphthalene-1-carbonyl)piperidine-3-carboxamide is COc1ccc(C(=O)N2CCC[C@H](C(=O)Nc3ccc(Cl)nc3)C2)c2ccccc12.
What is the InChIKey of (3S)-N-(6-chloro-3-pyridinyl)-1-(4-methoxynaphthalene-1-carbonyl)piperidine-3-carboxamide?
The InChIKey is BMPYHGOKTWITKZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C23H22ClN3O3/c1-30-20-10-9-19(17-6-2-3-7-18(17)20)23(29)27-12-4-5-15(14-27)22(28)26-16-8-11-21(24)25-13-16/h2-3,6-11,13,15H,4-5,12,14H2,1H3,(H,26,28)/t15-/m0/s1.
What are the key properties of (3S)-N-(6-chloro-3-pyridinyl)-1-(4-methoxynaphthalene-1-carbonyl)piperidine-3-carboxamide?
(3S)-N-(6-chloro-3-pyridinyl)-1-(4-methoxynaphthalene-1-carbonyl)piperidine-3-carboxamide has a molecular weight of 423.90 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(6-chloro-3-pyridinyl)-1-(4-methoxynaphthalene-1-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 97000078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).