(2-chloro-4-piperidin-1-ylphenyl)-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone

C22H25ClN2O — CID 10595255

IUPAC(2-chloro-4-piperidin-1-ylphenyl)-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone
SMILESO=C(c1ccc(N2CCCCC2)cc1Cl)N1CCCCc2ccccc21
InChIInChI=1S/C22H25ClN2O/c23-20-16-18(24-13-5-1-6-14-24)11-12-19(20)22(26)25-15-7-4-9-17-8-2-3-10-21(17)25/h2-3,8,10-12,16H,1,4-7,9,13-15H2
InChIKeyLZJSZHFQIZDMPK-UHFFFAOYSA-N
MW368.91 g/mol
LogP5.31
Rot. Bonds2

About (2-chloro-4-piperidin-1-ylphenyl)-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone

(2-chloro-4-piperidin-1-ylphenyl)-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone (PubChem CID 10595255) has the molecular formula C22H25ClN2O and a molecular weight of 368.91 g/mol. Its IUPAC name is (2-chloro-4-piperidin-1-ylphenyl)-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone.

Molecular Properties

Compound Name(2-chloro-4-piperidin-1-ylphenyl)-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone
PubChem CID10595255
Molecular FormulaC22H25ClN2O
Molecular Weight368.91 g/mol
Exact Mass368.17
IUPAC Name(2-chloro-4-piperidin-1-ylphenyl)-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone
SMILESO=C(c1ccc(N2CCCCC2)cc1Cl)N1CCCCc2ccccc21
InChIInChI=1S/C22H25ClN2O/c23-20-16-18(24-13-5-1-6-14-24)11-12-19(20)22(26)25-15-7-4-9-17-8-2-3-10-21(17)25/h2-3,8,10-12,16H,1,4-7,9,13-15H2
InChIKeyLZJSZHFQIZDMPK-UHFFFAOYSA-N
XLogP5.31
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.91
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2-chloro-4-piperidin-1-ylphenyl)-(2,3,4,5-tetrahydro-1-benzazepin-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

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-piperidin-1-ylphenyl)-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone?
The IUPAC name of (2-chloro-4-piperidin-1-ylphenyl)-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone (CID 10595255) is (2-chloro-4-piperidin-1-ylphenyl)-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone.
What is the SMILES notation for (2-chloro-4-piperidin-1-ylphenyl)-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone?
The canonical SMILES for (2-chloro-4-piperidin-1-ylphenyl)-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone is O=C(c1ccc(N2CCCCC2)cc1Cl)N1CCCCc2ccccc21.
What is the InChIKey of (2-chloro-4-piperidin-1-ylphenyl)-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone?
The InChIKey is LZJSZHFQIZDMPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN2O/c23-20-16-18(24-13-5-1-6-14-24)11-12-19(20)22(26)25-15-7-4-9-17-8-2-3-10-21(17)25/h2-3,8,10-12,16H,1,4-7,9,13-15H2.
What are the key properties of (2-chloro-4-piperidin-1-ylphenyl)-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone?
(2-chloro-4-piperidin-1-ylphenyl)-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone has a molecular weight of 368.91 g/mol, XLogP of 5.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-piperidin-1-ylphenyl)-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone is sourced from PubChem (CID 10595255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).