1-(2-amino-1-phenylethyl)piperidine-3-carboxamide

C14H21N3O — CID 55017302

IUPAC1-(2-amino-1-phenylethyl)piperidine-3-carboxamide
SMILESNCC(c1ccccc1)N1CCCC(C(N)=O)C1
InChIInChI=1S/C14H21N3O/c15-9-13(11-5-2-1-3-6-11)17-8-4-7-12(10-17)14(16)18/h1-3,5-6,12-13H,4,7-10,15H2,(H2,16,18)
InChIKeyPNCYMTIFFXXCNR-UHFFFAOYSA-N
MW247.34 g/mol
LogP0.88
Rot. Bonds4

About 1-(2-amino-1-phenylethyl)piperidine-3-carboxamide

1-(2-amino-1-phenylethyl)piperidine-3-carboxamide (PubChem CID 55017302) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-(2-amino-1-phenylethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-amino-1-phenylethyl)piperidine-3-carboxamide
PubChem CID55017302
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name1-(2-amino-1-phenylethyl)piperidine-3-carboxamide
SMILESNCC(c1ccccc1)N1CCCC(C(N)=O)C1
InChIInChI=1S/C14H21N3O/c15-9-13(11-5-2-1-3-6-11)17-8-4-7-12(10-17)14(16)18/h1-3,5-6,12-13H,4,7-10,15H2,(H2,16,18)
InChIKeyPNCYMTIFFXXCNR-UHFFFAOYSA-N
XLogP0.88
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(3S)-3-methylpiperidin-1-yl]-2-phenylethanamine
CID 9160808
1-[2-amino-1-(3-chlorophenyl)ethyl]pyrrolidine-3-carboxamide
CID 114081770
(3R)-1-(2,2-diphenylethyl)piperidine-3-carboxamide
CID 26458129
(3S)-1-(2,2-diphenylethyl)piperidine-3-carboxamide
CID 26458131
1-(2-amino-1-phenylethyl)pyrrolidin-3-ol
CID 62941324
1-[2-amino-1-(3-methylphenyl)ethyl]-N-methylpiperidine-3-carboxamide
CID 103194646
1-[2-amino-1-(3-bromophenyl)ethyl]-N-methylpiperidine-3-carboxamide
CID 103194669
1-[2-amino-1-(4-aminophenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 44890902
(3S)-1-[(1S)-2-amino-1-(4-chlorophenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 51698188
(3S)-1-[(1S)-2-(4-methylanilino)-2-oxo-1-phenylethyl]piperidine-3-carboxamide
CID 9304552
2-(4-chlorophenyl)-2-pyrrolidin-1-ylethanamine;oxalic acid
CID 45075211
(3S)-1-[(1S)-2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl]piperidine-3-carboxamide
CID 9267870

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-1-phenylethyl)piperidine-3-carboxamide?
The IUPAC name of 1-(2-amino-1-phenylethyl)piperidine-3-carboxamide (CID 55017302) is 1-(2-amino-1-phenylethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(2-amino-1-phenylethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(2-amino-1-phenylethyl)piperidine-3-carboxamide is NCC(c1ccccc1)N1CCCC(C(N)=O)C1.
What is the InChIKey of 1-(2-amino-1-phenylethyl)piperidine-3-carboxamide?
The InChIKey is PNCYMTIFFXXCNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c15-9-13(11-5-2-1-3-6-11)17-8-4-7-12(10-17)14(16)18/h1-3,5-6,12-13H,4,7-10,15H2,(H2,16,18).
What are the key properties of 1-(2-amino-1-phenylethyl)piperidine-3-carboxamide?
1-(2-amino-1-phenylethyl)piperidine-3-carboxamide has a molecular weight of 247.34 g/mol, XLogP of 0.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-1-phenylethyl)piperidine-3-carboxamide is sourced from PubChem (CID 55017302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).