N-[3-chloro-4-(1-phenylethylamino)phenyl]piperidine-3-carboxamide;hydrochloride

C20H25Cl2N3O — CID 119300296

IUPACN-[3-chloro-4-(1-phenylethylamino)phenyl]piperidine-3-carboxamide;hydrochloride
SMILESCC(Nc1ccc(NC(=O)C2CCCNC2)cc1Cl)c1ccccc1.Cl
InChIInChI=1S/C20H24ClN3O.ClH/c1-14(15-6-3-2-4-7-15)23-19-10-9-17(12-18(19)21)24-20(25)16-8-5-11-22-13-16;/h2-4,6-7,9-10,12,14,16,22-23H,5,8,11,13H2,1H3,(H,24,25);1H
InChIKeyHVUYVWRWCNXONL-UHFFFAOYSA-N
MW394.35 g/mol
LogP4.87
Rot. Bonds5

About N-[3-chloro-4-(1-phenylethylamino)phenyl]piperidine-3-carboxamide;hydrochloride

N-[3-chloro-4-(1-phenylethylamino)phenyl]piperidine-3-carboxamide;hydrochloride (PubChem CID 119300296) has the molecular formula C20H25Cl2N3O and a molecular weight of 394.35 g/mol. Its IUPAC name is N-[3-chloro-4-(1-phenylethylamino)phenyl]piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-chloro-4-(1-phenylethylamino)phenyl]piperidine-3-carboxamide;hydrochloride
PubChem CID119300296
Molecular FormulaC20H25Cl2N3O
Molecular Weight394.35 g/mol
Exact Mass393.14
IUPAC NameN-[3-chloro-4-(1-phenylethylamino)phenyl]piperidine-3-carboxamide;hydrochloride
SMILESCC(Nc1ccc(NC(=O)C2CCCNC2)cc1Cl)c1ccccc1.Cl
InChIInChI=1S/C20H24ClN3O.ClH/c1-14(15-6-3-2-4-7-15)23-19-10-9-17(12-18(19)21)24-20(25)16-8-5-11-22-13-16;/h2-4,6-7,9-10,12,14,16,22-23H,5,8,11,13H2,1H3,(H,24,25);1H
InChIKeyHVUYVWRWCNXONL-UHFFFAOYSA-N
XLogP4.87
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.35
LogP ≤ 54.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[3-chloro-4-(1-phenylethylamino)phenyl]piperidine-3-carboxamide;hydrochloride 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

N-[3-chloro-4-(1-phenylethylamino)phenyl]piperidine-3-carboxamide
CID 119300297
N-[4-(1-phenylethylamino)phenyl]piperidine-3-carboxamide
CID 119300277
N-(1-phenylethyl)piperidine-3-carboxamide
CID 18071982
N-(3-chloro-4-propan-2-yloxyphenyl)piperidine-3-carboxamide
CID 43712007
N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]piperidine-3-carboxamide;hydrochloride
CID 119288571
N-[4-(1-phenylethylamino)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119300266
N-(2-chloro-4-methylphenyl)piperidine-3-carboxamide;hydrochloride
CID 119262654
(3R)-N-(4-carbamoyl-3-chlorophenyl)piperidine-3-carboxamide
CID 81124281
(3R)-N-(4-chloro-3-methoxyphenyl)piperidine-3-carboxamide
CID 107621709
N-(1-phenylethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119669719
N-[1-(2-chlorophenyl)ethyl]piperidine-3-carboxamide
CID 61258238
N-[1-(3-acetamidophenyl)ethyl]piperidine-3-carboxamide
CID 60981088

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(1-phenylethylamino)phenyl]piperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[3-chloro-4-(1-phenylethylamino)phenyl]piperidine-3-carboxamide;hydrochloride (CID 119300296) is N-[3-chloro-4-(1-phenylethylamino)phenyl]piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-chloro-4-(1-phenylethylamino)phenyl]piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[3-chloro-4-(1-phenylethylamino)phenyl]piperidine-3-carboxamide;hydrochloride is CC(Nc1ccc(NC(=O)C2CCCNC2)cc1Cl)c1ccccc1.Cl.
What is the InChIKey of N-[3-chloro-4-(1-phenylethylamino)phenyl]piperidine-3-carboxamide;hydrochloride?
The InChIKey is HVUYVWRWCNXONL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O.ClH/c1-14(15-6-3-2-4-7-15)23-19-10-9-17(12-18(19)21)24-20(25)16-8-5-11-22-13-16;/h2-4,6-7,9-10,12,14,16,22-23H,5,8,11,13H2,1H3,(H,24,25);1H.
What are the key properties of N-[3-chloro-4-(1-phenylethylamino)phenyl]piperidine-3-carboxamide;hydrochloride?
N-[3-chloro-4-(1-phenylethylamino)phenyl]piperidine-3-carboxamide;hydrochloride has a molecular weight of 394.35 g/mol, XLogP of 4.87, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(1-phenylethylamino)phenyl]piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119300296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).