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

C20H24ClN3O — CID 119300297

IUPACN-[3-chloro-4-(1-phenylethylamino)phenyl]piperidine-3-carboxamide
SMILESCC(Nc1ccc(NC(=O)C2CCCNC2)cc1Cl)c1ccccc1
InChIInChI=1S/C20H24ClN3O/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)
InChIKeyJXMTYYSWLHFFDQ-UHFFFAOYSA-N
MW357.89 g/mol
LogP4.45
Rot. Bonds5

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

N-[3-chloro-4-(1-phenylethylamino)phenyl]piperidine-3-carboxamide (PubChem CID 119300297) has the molecular formula C20H24ClN3O and a molecular weight of 357.89 g/mol. Its IUPAC name is N-[3-chloro-4-(1-phenylethylamino)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-4-(1-phenylethylamino)phenyl]piperidine-3-carboxamide
PubChem CID119300297
Molecular FormulaC20H24ClN3O
Molecular Weight357.89 g/mol
Exact Mass357.16
IUPAC NameN-[3-chloro-4-(1-phenylethylamino)phenyl]piperidine-3-carboxamide
SMILESCC(Nc1ccc(NC(=O)C2CCCNC2)cc1Cl)c1ccccc1
InChIInChI=1S/C20H24ClN3O/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)
InChIKeyJXMTYYSWLHFFDQ-UHFFFAOYSA-N
XLogP4.45
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.89
LogP ≤ 54.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-chloro-4-(1-phenylethylamino)phenyl]piperidine-3-carboxamide;hydrochloride
CID 119300296
N-[4-(1-phenylethylamino)phenyl]piperidine-3-carboxamide
CID 119300277
N-(3-chloro-4-propan-2-yloxyphenyl)piperidine-3-carboxamide
CID 43712007
N-(1-phenylethyl)piperidine-3-carboxamide
CID 18071982
N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]piperidine-3-carboxamide;hydrochloride
CID 119288571
(3R)-N-(4-chloro-3-methoxyphenyl)piperidine-3-carboxamide
CID 107621709
(3R)-N-(4-carbamoyl-3-chlorophenyl)piperidine-3-carboxamide
CID 81124281
N-[4-(1-phenylethylamino)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119300266
N-[3-chloro-4-(1-phenylethylamino)phenyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 71685358
(3R)-N-(3,5-dichloro-4-hydroxyphenyl)piperidine-3-carboxamide
CID 107680359
N-[3-chloro-4-(difluoromethoxy)phenyl]piperidine-3-carboxamide
CID 61260908
N-(2-chloro-4-methylphenyl)piperidine-3-carboxamide;hydrochloride
CID 119262654

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(1-phenylethylamino)phenyl]piperidine-3-carboxamide?
The IUPAC name of N-[3-chloro-4-(1-phenylethylamino)phenyl]piperidine-3-carboxamide (CID 119300297) is N-[3-chloro-4-(1-phenylethylamino)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[3-chloro-4-(1-phenylethylamino)phenyl]piperidine-3-carboxamide?
The canonical SMILES for N-[3-chloro-4-(1-phenylethylamino)phenyl]piperidine-3-carboxamide is CC(Nc1ccc(NC(=O)C2CCCNC2)cc1Cl)c1ccccc1.
What is the InChIKey of N-[3-chloro-4-(1-phenylethylamino)phenyl]piperidine-3-carboxamide?
The InChIKey is JXMTYYSWLHFFDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O/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).
What are the key properties of N-[3-chloro-4-(1-phenylethylamino)phenyl]piperidine-3-carboxamide?
N-[3-chloro-4-(1-phenylethylamino)phenyl]piperidine-3-carboxamide has a molecular weight of 357.89 g/mol, XLogP of 4.45, 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 is sourced from PubChem (CID 119300297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).