1-(2-amino-3-phenylpropanoyl)-N-(cyclopropylmethyl)piperidine-3-carboxamide

C19H27N3O2 — CID 119289778

IUPAC1-(2-amino-3-phenylpropanoyl)-N-(cyclopropylmethyl)piperidine-3-carboxamide
SMILESNC(Cc1ccccc1)C(=O)N1CCCC(C(=O)NCC2CC2)C1
InChIInChI=1S/C19H27N3O2/c20-17(11-14-5-2-1-3-6-14)19(24)22-10-4-7-16(13-22)18(23)21-12-15-8-9-15/h1-3,5-6,15-17H,4,7-13,20H2,(H,21,23)
InChIKeyFUZGBCNDVBOUFW-UHFFFAOYSA-N
MW329.44 g/mol
LogP1.32
Rot. Bonds6

About 1-(2-amino-3-phenylpropanoyl)-N-(cyclopropylmethyl)piperidine-3-carboxamide

1-(2-amino-3-phenylpropanoyl)-N-(cyclopropylmethyl)piperidine-3-carboxamide (PubChem CID 119289778) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 1-(2-amino-3-phenylpropanoyl)-N-(cyclopropylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-amino-3-phenylpropanoyl)-N-(cyclopropylmethyl)piperidine-3-carboxamide
PubChem CID119289778
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name1-(2-amino-3-phenylpropanoyl)-N-(cyclopropylmethyl)piperidine-3-carboxamide
SMILESNC(Cc1ccccc1)C(=O)N1CCCC(C(=O)NCC2CC2)C1
InChIInChI=1S/C19H27N3O2/c20-17(11-14-5-2-1-3-6-14)19(24)22-10-4-7-16(13-22)18(23)21-12-15-8-9-15/h1-3,5-6,15-17H,4,7-13,20H2,(H,21,23)
InChIKeyFUZGBCNDVBOUFW-UHFFFAOYSA-N
XLogP1.32
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-benzyl-3-N-(cyclohexylmethyl)piperidine-1,3-dicarboxamide
CID 43815765
(2R)-2-amino-1-[(3S)-3-methoxypiperidin-1-yl]-3-phenylpropan-1-one
CID 124590633
1-(2-amino-3-phenylpropanoyl)-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide;dihydrochloride
CID 119855211
(3R)-1-[2-amino-3-(4-hydroxyphenyl)propanoyl]piperidine-3-carboxylic acid
CID 103870220
(2S)-2-amino-1-(4-ethylazepan-1-yl)-3-phenylpropan-1-one
CID 78992748
(3S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]piperidine-3-carboxylic acid
CID 81121192
2-amino-3-phenyl-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-one
CID 63166900
methyl 1-(2-amino-3-phenylpropanoyl)azetidine-3-carboxylate;hydrochloride
CID 70099178
(2R)-2-amino-1-[4-(hydroxymethyl)piperidin-1-yl]-3-phenylpropan-1-one
CID 78985406
1-[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]piperidine-3-carboxamide
CID 104904525
1-[2-amino-2-(oxan-4-yl)acetyl]-N-(cyclopropylmethyl)piperidine-3-carboxamide
CID 120787494
(2S)-2-amino-3-phenyl-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one
CID 119842941

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-3-phenylpropanoyl)-N-(cyclopropylmethyl)piperidine-3-carboxamide?
The IUPAC name of 1-(2-amino-3-phenylpropanoyl)-N-(cyclopropylmethyl)piperidine-3-carboxamide (CID 119289778) is 1-(2-amino-3-phenylpropanoyl)-N-(cyclopropylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(2-amino-3-phenylpropanoyl)-N-(cyclopropylmethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(2-amino-3-phenylpropanoyl)-N-(cyclopropylmethyl)piperidine-3-carboxamide is NC(Cc1ccccc1)C(=O)N1CCCC(C(=O)NCC2CC2)C1.
What is the InChIKey of 1-(2-amino-3-phenylpropanoyl)-N-(cyclopropylmethyl)piperidine-3-carboxamide?
The InChIKey is FUZGBCNDVBOUFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c20-17(11-14-5-2-1-3-6-14)19(24)22-10-4-7-16(13-22)18(23)21-12-15-8-9-15/h1-3,5-6,15-17H,4,7-13,20H2,(H,21,23).
What are the key properties of 1-(2-amino-3-phenylpropanoyl)-N-(cyclopropylmethyl)piperidine-3-carboxamide?
1-(2-amino-3-phenylpropanoyl)-N-(cyclopropylmethyl)piperidine-3-carboxamide has a molecular weight of 329.44 g/mol, XLogP of 1.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-3-phenylpropanoyl)-N-(cyclopropylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 119289778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).