[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-(2-pyridin-4-ylazepan-1-yl)methanone

C25H30ClN3O3 — CID 55764495

IUPAC[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-(2-pyridin-4-ylazepan-1-yl)methanone
SMILESCOc1ccc(Cl)cc1C(=O)N1CCC(C(=O)N2CCCCCC2c2ccncc2)CC1
InChIInChI=1S/C25H30ClN3O3/c1-32-23-7-6-20(26)17-21(23)25(31)28-15-10-19(11-16-28)24(30)29-14-4-2-3-5-22(29)18-8-12-27-13-9-18/h6-9,12-13,17,19,22H,2-5,10-11,14-16H2,1H3
InChIKeyHISMBUNLPBRVSO-UHFFFAOYSA-N
MW455.99 g/mol
LogP4.74
Rot. Bonds4

About [1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-(2-pyridin-4-ylazepan-1-yl)methanone

[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-(2-pyridin-4-ylazepan-1-yl)methanone (PubChem CID 55764495) has the molecular formula C25H30ClN3O3 and a molecular weight of 455.99 g/mol. Its IUPAC name is [1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-(2-pyridin-4-ylazepan-1-yl)methanone.

Molecular Properties

Compound Name[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-(2-pyridin-4-ylazepan-1-yl)methanone
PubChem CID55764495
Molecular FormulaC25H30ClN3O3
Molecular Weight455.99 g/mol
Exact Mass455.20
IUPAC Name[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-(2-pyridin-4-ylazepan-1-yl)methanone
SMILESCOc1ccc(Cl)cc1C(=O)N1CCC(C(=O)N2CCCCCC2c2ccncc2)CC1
InChIInChI=1S/C25H30ClN3O3/c1-32-23-7-6-20(26)17-21(23)25(31)28-15-10-19(11-16-28)24(30)29-14-4-2-3-5-22(29)18-8-12-27-13-9-18/h6-9,12-13,17,19,22H,2-5,10-11,14-16H2,1H3
InChIKeyHISMBUNLPBRVSO-UHFFFAOYSA-N
XLogP4.74
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.99
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-(2-pyridin-4-ylazepan-1-yl)methanone 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

[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-[2-(3,4-dimethylphenyl)pyrrolidin-1-yl]methanone
CID 60589395
[4-[1-(5-chloro-2-methoxybenzoyl)piperidine-4-carbonyl]piperazin-1-yl]-cyclobutylmethanone
CID 56511112
1-(5-chloro-2-methoxybenzoyl)piperidine-4-carboxamide
CID 2473565
[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 56551226
1-(5-chloro-2-methoxybenzoyl)pyrrolidine-3-carboxylic acid
CID 55151545
[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-[2-[(3-methoxyphenyl)methyl]pyrrolidin-1-yl]methanone
CID 55897655
(5-chloro-2-methoxyphenyl)-[3-(4-chlorophenyl)azepan-1-yl]methanone
CID 121146503
(5-chloro-2-methoxyphenyl)-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]methanone
CID 90617163
2-[4-[1-(5-chloro-2-methoxybenzoyl)piperidine-4-carbonyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 55622870
[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(5-chloro-2-methoxyphenyl)methanone
CID 30102559
[1-(2,4-difluorobenzoyl)piperidin-4-yl]-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]methanone
CID 42938814
[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]methanone
CID 55876984

Frequently Asked Questions

What is the IUPAC name of [1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-(2-pyridin-4-ylazepan-1-yl)methanone?
The IUPAC name of [1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-(2-pyridin-4-ylazepan-1-yl)methanone (CID 55764495) is [1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-(2-pyridin-4-ylazepan-1-yl)methanone.
What is the SMILES notation for [1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-(2-pyridin-4-ylazepan-1-yl)methanone?
The canonical SMILES for [1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-(2-pyridin-4-ylazepan-1-yl)methanone is COc1ccc(Cl)cc1C(=O)N1CCC(C(=O)N2CCCCCC2c2ccncc2)CC1.
What is the InChIKey of [1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-(2-pyridin-4-ylazepan-1-yl)methanone?
The InChIKey is HISMBUNLPBRVSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30ClN3O3/c1-32-23-7-6-20(26)17-21(23)25(31)28-15-10-19(11-16-28)24(30)29-14-4-2-3-5-22(29)18-8-12-27-13-9-18/h6-9,12-13,17,19,22H,2-5,10-11,14-16H2,1H3.
What are the key properties of [1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-(2-pyridin-4-ylazepan-1-yl)methanone?
[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-(2-pyridin-4-ylazepan-1-yl)methanone has a molecular weight of 455.99 g/mol, XLogP of 4.74, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-(2-pyridin-4-ylazepan-1-yl)methanone is sourced from PubChem (CID 55764495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).