[3-(azepan-1-ylmethyl)-3-hydroxypiperidin-1-yl]-(2,3-dichlorophenyl)methanone

C19H26Cl2N2O2 — CID 154816582

IUPAC[3-(azepan-1-ylmethyl)-3-hydroxypiperidin-1-yl]-(2,3-dichlorophenyl)methanone
SMILESO=C(c1cccc(Cl)c1Cl)N1CCCC(O)(CN2CCCCCC2)C1
InChIInChI=1S/C19H26Cl2N2O2/c20-16-8-5-7-15(17(16)21)18(24)23-12-6-9-19(25,14-23)13-22-10-3-1-2-4-11-22/h5,7-8,25H,1-4,6,9-14H2
InChIKeyVHCVPVDPEQKKMC-UHFFFAOYSA-N
MW385.34 g/mol
LogP3.84
Rot. Bonds3

About [3-(azepan-1-ylmethyl)-3-hydroxypiperidin-1-yl]-(2,3-dichlorophenyl)methanone

[3-(azepan-1-ylmethyl)-3-hydroxypiperidin-1-yl]-(2,3-dichlorophenyl)methanone (PubChem CID 154816582) has the molecular formula C19H26Cl2N2O2 and a molecular weight of 385.34 g/mol. Its IUPAC name is [3-(azepan-1-ylmethyl)-3-hydroxypiperidin-1-yl]-(2,3-dichlorophenyl)methanone.

Molecular Properties

Compound Name[3-(azepan-1-ylmethyl)-3-hydroxypiperidin-1-yl]-(2,3-dichlorophenyl)methanone
PubChem CID154816582
Molecular FormulaC19H26Cl2N2O2
Molecular Weight385.34 g/mol
Exact Mass384.14
IUPAC Name[3-(azepan-1-ylmethyl)-3-hydroxypiperidin-1-yl]-(2,3-dichlorophenyl)methanone
SMILESO=C(c1cccc(Cl)c1Cl)N1CCCC(O)(CN2CCCCCC2)C1
InChIInChI=1S/C19H26Cl2N2O2/c20-16-8-5-7-15(17(16)21)18(24)23-12-6-9-19(25,14-23)13-22-10-3-1-2-4-11-22/h5,7-8,25H,1-4,6,9-14H2
InChIKeyVHCVPVDPEQKKMC-UHFFFAOYSA-N
XLogP3.84
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.34
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [3-(azepan-1-ylmethyl)-3-hydroxypiperidin-1-yl]-(2,3-dichlorophenyl)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

(2,3-difluorophenyl)-[3-hydroxy-3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
CID 70744529
[(3S)-3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone
CID 124967904
3-amino-1-(2,3-dichlorobenzoyl)pyrrolidine-3-carboxylic acid
CID 107323701
2-[4-(2,3-dichlorobenzoyl)-1,4-diazepan-1-yl]acetic acid
CID 62825146
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(2,3-dichlorophenyl)methanone;hydrochloride
CID 120806072
3-[1-(2-chloro-3-fluorobenzoyl)-3-hydroxypiperidin-3-yl]-N-methylpropanamide
CID 132777230
[3-hydroxy-3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-(1H-indol-5-yl)methanone
CID 70752590
[(3R)-3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 124990157
(2,3-dichlorophenyl)-morpholin-4-ylmethanone
CID 1247473
(3-bromopiperidin-1-yl)-(2,3-dichlorophenyl)methanone
CID 80659980
[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-(2,3-dichlorophenyl)methanone
CID 19294950
(3-fluoro-2-methoxyphenyl)-[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methanone
CID 56905075

Frequently Asked Questions

What is the IUPAC name of [3-(azepan-1-ylmethyl)-3-hydroxypiperidin-1-yl]-(2,3-dichlorophenyl)methanone?
The IUPAC name of [3-(azepan-1-ylmethyl)-3-hydroxypiperidin-1-yl]-(2,3-dichlorophenyl)methanone (CID 154816582) is [3-(azepan-1-ylmethyl)-3-hydroxypiperidin-1-yl]-(2,3-dichlorophenyl)methanone.
What is the SMILES notation for [3-(azepan-1-ylmethyl)-3-hydroxypiperidin-1-yl]-(2,3-dichlorophenyl)methanone?
The canonical SMILES for [3-(azepan-1-ylmethyl)-3-hydroxypiperidin-1-yl]-(2,3-dichlorophenyl)methanone is O=C(c1cccc(Cl)c1Cl)N1CCCC(O)(CN2CCCCCC2)C1.
What is the InChIKey of [3-(azepan-1-ylmethyl)-3-hydroxypiperidin-1-yl]-(2,3-dichlorophenyl)methanone?
The InChIKey is VHCVPVDPEQKKMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26Cl2N2O2/c20-16-8-5-7-15(17(16)21)18(24)23-12-6-9-19(25,14-23)13-22-10-3-1-2-4-11-22/h5,7-8,25H,1-4,6,9-14H2.
What are the key properties of [3-(azepan-1-ylmethyl)-3-hydroxypiperidin-1-yl]-(2,3-dichlorophenyl)methanone?
[3-(azepan-1-ylmethyl)-3-hydroxypiperidin-1-yl]-(2,3-dichlorophenyl)methanone has a molecular weight of 385.34 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(azepan-1-ylmethyl)-3-hydroxypiperidin-1-yl]-(2,3-dichlorophenyl)methanone is sourced from PubChem (CID 154816582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).