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

C20H25N3O — CID 119300277

IUPACN-[4-(1-phenylethylamino)phenyl]piperidine-3-carboxamide
SMILESCC(Nc1ccc(NC(=O)C2CCCNC2)cc1)c1ccccc1
InChIInChI=1S/C20H25N3O/c1-15(16-6-3-2-4-7-16)22-18-9-11-19(12-10-18)23-20(24)17-8-5-13-21-14-17/h2-4,6-7,9-12,15,17,21-22H,5,8,13-14H2,1H3,(H,23,24)
InChIKeyCPJZYJIBUURIJC-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.80
Rot. Bonds5

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

N-[4-(1-phenylethylamino)phenyl]piperidine-3-carboxamide (PubChem CID 119300277) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is N-[4-(1-phenylethylamino)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(1-phenylethylamino)phenyl]piperidine-3-carboxamide
PubChem CID119300277
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC NameN-[4-(1-phenylethylamino)phenyl]piperidine-3-carboxamide
SMILESCC(Nc1ccc(NC(=O)C2CCCNC2)cc1)c1ccccc1
InChIInChI=1S/C20H25N3O/c1-15(16-6-3-2-4-7-16)22-18-9-11-19(12-10-18)23-20(24)17-8-5-13-21-14-17/h2-4,6-7,9-12,15,17,21-22H,5,8,13-14H2,1H3,(H,23,24)
InChIKeyCPJZYJIBUURIJC-UHFFFAOYSA-N
XLogP3.80
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-chloro-4-(1-phenylethylamino)phenyl]piperidine-3-carboxamide
CID 119300297
N-[3-chloro-4-(1-phenylethylamino)phenyl]piperidine-3-carboxamide;hydrochloride
CID 119300296
N-[4-(1-phenylethylamino)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119300266
N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]piperidine-3-carboxamide;hydrochloride
CID 119288571
N-(1-phenylethyl)piperidine-3-carboxamide
CID 18071982
N-[4-(phenylcarbamoyl)phenyl]piperidine-3-carboxamide;hydrochloride
CID 119307803
N-[4-(propan-2-ylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 60927369
(3S)-N-[1-[4-(carbamoylamino)phenyl]ethyl]piperidine-3-carboxamide
CID 81118919
propan-2-yl 4-(piperidine-3-carbonylamino)benzoate
CID 43702839
(3S)-N-[4-(dimethylamino)phenyl]piperidine-3-carboxamide
CID 28807397
N-(1-phenylethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119669719
N-[1-[6-[[(1S)-1-phenylethyl]amino]pyrazin-2-yl]benzimidazol-5-yl]piperidine-3-carboxamide
CID 10252763

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-phenylethylamino)phenyl]piperidine-3-carboxamide?
The IUPAC name of N-[4-(1-phenylethylamino)phenyl]piperidine-3-carboxamide (CID 119300277) is N-[4-(1-phenylethylamino)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[4-(1-phenylethylamino)phenyl]piperidine-3-carboxamide?
The canonical SMILES for N-[4-(1-phenylethylamino)phenyl]piperidine-3-carboxamide is CC(Nc1ccc(NC(=O)C2CCCNC2)cc1)c1ccccc1.
What is the InChIKey of N-[4-(1-phenylethylamino)phenyl]piperidine-3-carboxamide?
The InChIKey is CPJZYJIBUURIJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c1-15(16-6-3-2-4-7-16)22-18-9-11-19(12-10-18)23-20(24)17-8-5-13-21-14-17/h2-4,6-7,9-12,15,17,21-22H,5,8,13-14H2,1H3,(H,23,24).
What are the key properties of N-[4-(1-phenylethylamino)phenyl]piperidine-3-carboxamide?
N-[4-(1-phenylethylamino)phenyl]piperidine-3-carboxamide has a molecular weight of 323.44 g/mol, XLogP of 3.80, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-phenylethylamino)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 119300277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).