(2-chlorophenyl)-[4-(methylamino)piperidin-1-yl]methanone

C13H17ClN2O — CID 83728656

IUPAC(2-chlorophenyl)-[4-(methylamino)piperidin-1-yl]methanone
SMILESCNC1CCN(C(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C13H17ClN2O/c1-15-10-6-8-16(9-7-10)13(17)11-4-2-3-5-12(11)14/h2-5,10,15H,6-9H2,1H3
InChIKeyUXNRBVLYYUDCRI-UHFFFAOYSA-N
MW252.74 g/mol
LogP2.16
Rot. Bonds2

About (2-chlorophenyl)-[4-(methylamino)piperidin-1-yl]methanone

(2-chlorophenyl)-[4-(methylamino)piperidin-1-yl]methanone (PubChem CID 83728656) has the molecular formula C13H17ClN2O and a molecular weight of 252.74 g/mol. Its IUPAC name is (2-chlorophenyl)-[4-(methylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-chlorophenyl)-[4-(methylamino)piperidin-1-yl]methanone
PubChem CID83728656
Molecular FormulaC13H17ClN2O
Molecular Weight252.74 g/mol
Exact Mass252.10
IUPAC Name(2-chlorophenyl)-[4-(methylamino)piperidin-1-yl]methanone
SMILESCNC1CCN(C(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C13H17ClN2O/c1-15-10-6-8-16(9-7-10)13(17)11-4-2-3-5-12(11)14/h2-5,10,15H,6-9H2,1H3
InChIKeyUXNRBVLYYUDCRI-UHFFFAOYSA-N
XLogP2.16
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.74
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2-chlorophenyl)-[4-(methylamino)piperidin-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

(2-chlorophenyl)-[4-(propan-2-ylamino)piperidin-1-yl]methanone
CID 90380560
2-chloro-N-[1-(2-chlorobenzoyl)piperidin-4-yl]propanamide
CID 108564176
(2-chlorophenyl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
CID 81297532
(2-chlorophenyl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 21025470
methyl 2-[1-(2-chlorobenzoyl)piperidin-4-yl]acetate
CID 142714825
[2-(2,4-dichlorophenoxy)phenyl]-[4-(methylamino)piperidin-1-yl]methanone
CID 119562310
[2-[4-(methylamino)piperidine-1-carbonyl]phenyl]-(4-methylphenyl)methanone
CID 119561443
(2-chloro-5-methylsulfanylphenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119562535
1-(2-chlorobenzoyl)-N-cyclopentylpiperidine-4-carboxamide
CID 1072799
2,5-dichloro-N-[1-(2-chlorobenzoyl)piperidin-4-yl]benzamide
CID 108554581
[1-(2-chlorophenyl)-5-methylpyrazol-4-yl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119561305
(2,3-dimethylphenyl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119560822

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-[4-(methylamino)piperidin-1-yl]methanone?
The IUPAC name of (2-chlorophenyl)-[4-(methylamino)piperidin-1-yl]methanone (CID 83728656) is (2-chlorophenyl)-[4-(methylamino)piperidin-1-yl]methanone.
What is the SMILES notation for (2-chlorophenyl)-[4-(methylamino)piperidin-1-yl]methanone?
The canonical SMILES for (2-chlorophenyl)-[4-(methylamino)piperidin-1-yl]methanone is CNC1CCN(C(=O)c2ccccc2Cl)CC1.
What is the InChIKey of (2-chlorophenyl)-[4-(methylamino)piperidin-1-yl]methanone?
The InChIKey is UXNRBVLYYUDCRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O/c1-15-10-6-8-16(9-7-10)13(17)11-4-2-3-5-12(11)14/h2-5,10,15H,6-9H2,1H3.
What are the key properties of (2-chlorophenyl)-[4-(methylamino)piperidin-1-yl]methanone?
(2-chlorophenyl)-[4-(methylamino)piperidin-1-yl]methanone has a molecular weight of 252.74 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-[4-(methylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 83728656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).