1-[(2S)-2-amino-3-phenylpropanoyl]-N-methylpiperidine-2-carboxamide

C16H23N3O2 — CID 61163933

IUPAC1-[(2S)-2-amino-3-phenylpropanoyl]-N-methylpiperidine-2-carboxamide
SMILESCNC(=O)C1CCCCN1C(=O)[C@@H](N)Cc1ccccc1
InChIInChI=1S/C16H23N3O2/c1-18-15(20)14-9-5-6-10-19(14)16(21)13(17)11-12-7-3-2-4-8-12/h2-4,7-8,13-14H,5-6,9-11,17H2,1H3,(H,18,20)/t13-,14?/m0/s1
InChIKeyPBNJRUFXADGNQQ-LSLKUGRBSA-N
MW289.38 g/mol
LogP0.68
Rot. Bonds4

About 1-[(2S)-2-amino-3-phenylpropanoyl]-N-methylpiperidine-2-carboxamide

1-[(2S)-2-amino-3-phenylpropanoyl]-N-methylpiperidine-2-carboxamide (PubChem CID 61163933) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-[(2S)-2-amino-3-phenylpropanoyl]-N-methylpiperidine-2-carboxamide.

Molecular Properties

Compound Name1-[(2S)-2-amino-3-phenylpropanoyl]-N-methylpiperidine-2-carboxamide
PubChem CID61163933
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name1-[(2S)-2-amino-3-phenylpropanoyl]-N-methylpiperidine-2-carboxamide
SMILESCNC(=O)C1CCCCN1C(=O)[C@@H](N)Cc1ccccc1
InChIInChI=1S/C16H23N3O2/c1-18-15(20)14-9-5-6-10-19(14)16(21)13(17)11-12-7-3-2-4-8-12/h2-4,7-8,13-14H,5-6,9-11,17H2,1H3,(H,18,20)/t13-,14?/m0/s1
InChIKeyPBNJRUFXADGNQQ-LSLKUGRBSA-N
XLogP0.68
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2S)-2-amino-3-phenylpropanoyl]-N-methylpyrrolidine-2-carboxamide
CID 61164772
methyl 1-[(2S)-2-amino-3-phenylpropanoyl]pyrrolidine-2-carboxylate
CID 61163138
2-[[1-(2-amino-3-phenylpropanoyl)pyrrolidine-2-carbonyl]amino]-3-methylbutanoic acid
CID 18223326
(2S)-2-[[(2S)-1-[(2S)-2-amino-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoic acid
CID 71548717
benzyl (2S)-1-[(2R)-2-amino-3-phenylpropanoyl]pyrrolidine-2-carboxylate;hydrochloride
CID 13391124
4-amino-2-[[1-(2-amino-3-phenylpropanoyl)pyrrolidine-2-carbonyl]amino]-4-oxobutanoic acid
CID 18223312
1-(2-amino-2-phenylacetyl)-N-methylpyrrolidine-2-carboxamide
CID 60953274
(2S)-2-amino-3-phenyl-1-(2-propylpiperidin-1-yl)propan-1-one
CID 83053177
tert-butyl N-[4-[[(2S)-1-[(2R)-2-amino-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]butyl]carbamate
CID 70059423
(2R)-1-[(2S)-2-amino-3-phenylpropanoyl]-N-[(4-sulfamoylphenyl)methyl]pyrrolidine-2-carboxamide
CID 41076113
methyl (2S)-2-[[(2R)-1-[(2S)-2-aminobutanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoate
CID 167596044
(2S)-1-[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide
CID 94480252

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-amino-3-phenylpropanoyl]-N-methylpiperidine-2-carboxamide?
The IUPAC name of 1-[(2S)-2-amino-3-phenylpropanoyl]-N-methylpiperidine-2-carboxamide (CID 61163933) is 1-[(2S)-2-amino-3-phenylpropanoyl]-N-methylpiperidine-2-carboxamide.
What is the SMILES notation for 1-[(2S)-2-amino-3-phenylpropanoyl]-N-methylpiperidine-2-carboxamide?
The canonical SMILES for 1-[(2S)-2-amino-3-phenylpropanoyl]-N-methylpiperidine-2-carboxamide is CNC(=O)C1CCCCN1C(=O)[C@@H](N)Cc1ccccc1.
What is the InChIKey of 1-[(2S)-2-amino-3-phenylpropanoyl]-N-methylpiperidine-2-carboxamide?
The InChIKey is PBNJRUFXADGNQQ-LSLKUGRBSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-18-15(20)14-9-5-6-10-19(14)16(21)13(17)11-12-7-3-2-4-8-12/h2-4,7-8,13-14H,5-6,9-11,17H2,1H3,(H,18,20)/t13-,14?/m0/s1.
What are the key properties of 1-[(2S)-2-amino-3-phenylpropanoyl]-N-methylpiperidine-2-carboxamide?
1-[(2S)-2-amino-3-phenylpropanoyl]-N-methylpiperidine-2-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 0.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-amino-3-phenylpropanoyl]-N-methylpiperidine-2-carboxamide is sourced from PubChem (CID 61163933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).