4-(benzylamino)-1-(2-phenylethyl)piperidine-4-carboxamide

C21H27N3O — CID 113225254

IUPAC4-(benzylamino)-1-(2-phenylethyl)piperidine-4-carboxamide
SMILESNC(=O)C1(NCc2ccccc2)CCN(CCc2ccccc2)CC1
InChIInChI=1S/C21H27N3O/c22-20(25)21(23-17-19-9-5-2-6-10-19)12-15-24(16-13-21)14-11-18-7-3-1-4-8-18/h1-10,23H,11-17H2,(H2,22,25)
InChIKeyKGWMZZBGWLOKAO-UHFFFAOYSA-N
MW337.47 g/mol
LogP2.34
Rot. Bonds7

About 4-(benzylamino)-1-(2-phenylethyl)piperidine-4-carboxamide

4-(benzylamino)-1-(2-phenylethyl)piperidine-4-carboxamide (PubChem CID 113225254) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is 4-(benzylamino)-1-(2-phenylethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name4-(benzylamino)-1-(2-phenylethyl)piperidine-4-carboxamide
PubChem CID113225254
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC Name4-(benzylamino)-1-(2-phenylethyl)piperidine-4-carboxamide
SMILESNC(=O)C1(NCc2ccccc2)CCN(CCc2ccccc2)CC1
InChIInChI=1S/C21H27N3O/c22-20(25)21(23-17-19-9-5-2-6-10-19)12-15-24(16-13-21)14-11-18-7-3-1-4-8-18/h1-10,23H,11-17H2,(H2,22,25)
InChIKeyKGWMZZBGWLOKAO-UHFFFAOYSA-N
XLogP2.34
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(cyclopropylamino)-1-(2-phenylethyl)piperidine-4-carboxamide
CID 60792929
4-(benzylamino)-1-methylazepane-4-carboxamide
CID 65075475
benzyl 4-(benzylamino)-4-carbamoylpiperidine-1-carboxylate
CID 130516767
4-(benzylamino)-1-propan-2-ylazepane-4-carboxamide
CID 65075738
methyl 4-(benzylamino)-1-propylpiperidine-4-carboxylate
CID 60992679
sodium;4-anilino-1-(2-phenylethyl)piperidine-4-carboxylic acid;hydride
CID 173365914
ethyl 4-(methylamino)-1-(2-phenylethyl)piperidine-4-carboxylate
CID 60791020
1-benzyl-4-(2-methylpropylamino)piperidine-4-carboxamide
CID 60995368
4-benzyl-1-(2-phenylethyl)piperidine-4-carboxylic acid
CID 122657647
N-[[4-hydroxy-1-(2-phenylethyl)piperidin-4-yl]methyl]acetamide
CID 165352141
1-(benzylamino)-4-methylcycloheptane-1-carboxamide
CID 65084787
4-[(3-fluorophenyl)methylamino]-1-methylpiperidine-4-carboxamide
CID 70952142

Frequently Asked Questions

What is the IUPAC name of 4-(benzylamino)-1-(2-phenylethyl)piperidine-4-carboxamide?
The IUPAC name of 4-(benzylamino)-1-(2-phenylethyl)piperidine-4-carboxamide (CID 113225254) is 4-(benzylamino)-1-(2-phenylethyl)piperidine-4-carboxamide.
What is the SMILES notation for 4-(benzylamino)-1-(2-phenylethyl)piperidine-4-carboxamide?
The canonical SMILES for 4-(benzylamino)-1-(2-phenylethyl)piperidine-4-carboxamide is NC(=O)C1(NCc2ccccc2)CCN(CCc2ccccc2)CC1.
What is the InChIKey of 4-(benzylamino)-1-(2-phenylethyl)piperidine-4-carboxamide?
The InChIKey is KGWMZZBGWLOKAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O/c22-20(25)21(23-17-19-9-5-2-6-10-19)12-15-24(16-13-21)14-11-18-7-3-1-4-8-18/h1-10,23H,11-17H2,(H2,22,25).
What are the key properties of 4-(benzylamino)-1-(2-phenylethyl)piperidine-4-carboxamide?
4-(benzylamino)-1-(2-phenylethyl)piperidine-4-carboxamide has a molecular weight of 337.47 g/mol, XLogP of 2.34, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzylamino)-1-(2-phenylethyl)piperidine-4-carboxamide is sourced from PubChem (CID 113225254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).