2-chloro-N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide

C22H27ClN2O — CID 139032969

IUPAC2-chloro-N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
SMILESCC(Cl)C(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C22H27ClN2O/c1-18(23)22(26)25(20-10-6-3-7-11-20)21-13-16-24(17-14-21)15-12-19-8-4-2-5-9-19/h2-11,18,21H,12-17H2,1H3
InChIKeyQWBHMXNWOVMXPX-UHFFFAOYSA-N
MW370.92 g/mol
LogP4.35
Rot. Bonds6

About 2-chloro-N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide

2-chloro-N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide (PubChem CID 139032969) has the molecular formula C22H27ClN2O and a molecular weight of 370.92 g/mol. Its IUPAC name is 2-chloro-N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound Name2-chloro-N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
PubChem CID139032969
Molecular FormulaC22H27ClN2O
Molecular Weight370.92 g/mol
Exact Mass370.18
IUPAC Name2-chloro-N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
SMILESCC(Cl)C(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C22H27ClN2O/c1-18(23)22(26)25(20-10-6-3-7-11-20)21-13-16-24(17-14-21)15-12-19-8-4-2-5-9-19/h2-11,18,21H,12-17H2,1H3
InChIKeyQWBHMXNWOVMXPX-UHFFFAOYSA-N
XLogP4.35
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.92
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2-chloro-N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide 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-fluoro-N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 11631733
N-((1,2,3,4,5,6-13C6)cyclohexatrienyl)-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide
CID 165365115
N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 3345
2-chloro-N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide
CID 10689652
ethane;N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 160668171
N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide azide
CID 126650510
1,1-diethoxyethane;N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 166758697
2,2,2-trifluoro-N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide
CID 155907714
(2R)-2-chloro-N-cyclohexyl-N-phenylpropanamide
CID 97357253
N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide sulfate
CID 53341505
but-2-enedioic acid;N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 68613507
trans-(1S,2S)-2-[phenyl-[1-(2-phenylethyl)piperidin-4-yl]carbamoyl]cyclopropane-1-carboxylic acid
CID 178169179

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide?
The IUPAC name of 2-chloro-N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide (CID 139032969) is 2-chloro-N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide.
What is the SMILES notation for 2-chloro-N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide?
The canonical SMILES for 2-chloro-N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide is CC(Cl)C(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1.
What is the InChIKey of 2-chloro-N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide?
The InChIKey is QWBHMXNWOVMXPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN2O/c1-18(23)22(26)25(20-10-6-3-7-11-20)21-13-16-24(17-14-21)15-12-19-8-4-2-5-9-19/h2-11,18,21H,12-17H2,1H3.
What are the key properties of 2-chloro-N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide?
2-chloro-N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide has a molecular weight of 370.92 g/mol, XLogP of 4.35, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 139032969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).