1-[(2R)-2-amino-3-phenylpropanoyl]-6-methylpiperidine-3-carboxamide

C16H23N3O2 — CID 78984554

IUPAC1-[(2R)-2-amino-3-phenylpropanoyl]-6-methylpiperidine-3-carboxamide
SMILESCC1CCC(C(N)=O)CN1C(=O)[C@H](N)Cc1ccccc1
InChIInChI=1S/C16H23N3O2/c1-11-7-8-13(15(18)20)10-19(11)16(21)14(17)9-12-5-3-2-4-6-12/h2-6,11,13-14H,7-10,17H2,1H3,(H2,18,20)/t11?,13?,14-/m1/s1
InChIKeyOJDSODPCZHZSSU-UXUKBGGZSA-N
MW289.38 g/mol
LogP0.67
Rot. Bonds4

About 1-[(2R)-2-amino-3-phenylpropanoyl]-6-methylpiperidine-3-carboxamide

1-[(2R)-2-amino-3-phenylpropanoyl]-6-methylpiperidine-3-carboxamide (PubChem CID 78984554) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-[(2R)-2-amino-3-phenylpropanoyl]-6-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(2R)-2-amino-3-phenylpropanoyl]-6-methylpiperidine-3-carboxamide
PubChem CID78984554
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name1-[(2R)-2-amino-3-phenylpropanoyl]-6-methylpiperidine-3-carboxamide
SMILESCC1CCC(C(N)=O)CN1C(=O)[C@H](N)Cc1ccccc1
InChIInChI=1S/C16H23N3O2/c1-11-7-8-13(15(18)20)10-19(11)16(21)14(17)9-12-5-3-2-4-6-12/h2-6,11,13-14H,7-10,17H2,1H3,(H2,18,20)/t11?,13?,14-/m1/s1
InChIKeyOJDSODPCZHZSSU-UXUKBGGZSA-N
XLogP0.67
TPSA89.42 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 ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,6S)-1-[(2S,3S)-3-amino-2-methyl-3-phenylpropanoyl]-6-methylpiperidine-3-carboxamide
CID 124598329
2-amino-1-(2,4-dimethylpiperazin-1-yl)-3-phenylpropan-1-one
CID 103814570
(2R)-2-amino-1-(2,5-dimethylpiperidin-1-yl)-3-(4-hydroxyphenyl)propan-1-one
CID 104905282
1-(2-amino-4-methoxybutanoyl)-6-methylpiperidine-3-carboxamide
CID 62474841
2-amino-3-(4-hydroxyphenyl)-1-(2-methylazepan-1-yl)propan-1-one
CID 77020980
(2S)-2-amino-3-phenyl-1-(2-propylpiperidin-1-yl)propan-1-one
CID 83053177
2-amino-1-(3-methylpyrrolidin-1-yl)-3-phenylpropan-1-one;hydrochloride
CID 119303310
1-(3-amino-2-methylbutanoyl)-6-methylpiperidine-3-carboxamide
CID 113416223
1-(2-anilinoacetyl)-6-methylpiperidine-3-carboxamide
CID 60963532
1-[(2S)-2-amino-3-phenylpropanoyl]-N-methylpiperidine-2-carboxamide
CID 61163933
(2R)-2-amino-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 107218086
methyl 1-[(2S)-2-amino-3-phenylpropanoyl]pyrrolidine-2-carboxylate
CID 61163138

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-amino-3-phenylpropanoyl]-6-methylpiperidine-3-carboxamide?
The IUPAC name of 1-[(2R)-2-amino-3-phenylpropanoyl]-6-methylpiperidine-3-carboxamide (CID 78984554) is 1-[(2R)-2-amino-3-phenylpropanoyl]-6-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[(2R)-2-amino-3-phenylpropanoyl]-6-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-[(2R)-2-amino-3-phenylpropanoyl]-6-methylpiperidine-3-carboxamide is CC1CCC(C(N)=O)CN1C(=O)[C@H](N)Cc1ccccc1.
What is the InChIKey of 1-[(2R)-2-amino-3-phenylpropanoyl]-6-methylpiperidine-3-carboxamide?
The InChIKey is OJDSODPCZHZSSU-UXUKBGGZSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-11-7-8-13(15(18)20)10-19(11)16(21)14(17)9-12-5-3-2-4-6-12/h2-6,11,13-14H,7-10,17H2,1H3,(H2,18,20)/t11?,13?,14-/m1/s1.
What are the key properties of 1-[(2R)-2-amino-3-phenylpropanoyl]-6-methylpiperidine-3-carboxamide?
1-[(2R)-2-amino-3-phenylpropanoyl]-6-methylpiperidine-3-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 0.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-amino-3-phenylpropanoyl]-6-methylpiperidine-3-carboxamide is sourced from PubChem (CID 78984554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).