N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpiperidine-2-carboxamide

C16H24N2O2 — CID 107863134

IUPACN-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpiperidine-2-carboxamide
SMILESCC1(C(=O)N[C@H](CO)Cc2ccccc2)CCCCN1
InChIInChI=1S/C16H24N2O2/c1-16(9-5-6-10-17-16)15(20)18-14(12-19)11-13-7-3-2-4-8-13/h2-4,7-8,14,17,19H,5-6,9-12H2,1H3,(H,18,20)/t14-,16?/m0/s1
InChIKeySONNJVWGRRKEIK-LBAUFKAWSA-N
MW276.38 g/mol
LogP1.24
Rot. Bonds5

About N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpiperidine-2-carboxamide

N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpiperidine-2-carboxamide (PubChem CID 107863134) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpiperidine-2-carboxamide
PubChem CID107863134
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpiperidine-2-carboxamide
SMILESCC1(C(=O)N[C@H](CO)Cc2ccccc2)CCCCN1
InChIInChI=1S/C16H24N2O2/c1-16(9-5-6-10-17-16)15(20)18-14(12-19)11-13-7-3-2-4-8-13/h2-4,7-8,14,17,19H,5-6,9-12H2,1H3,(H,18,20)/t14-,16?/m0/s1
InChIKeySONNJVWGRRKEIK-LBAUFKAWSA-N
XLogP1.24
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpyrrolidine-2-carboxamide
CID 107863123
N-(1-hydroxy-3-phenylpropan-2-yl)-3-methylpyrrolidine-3-carboxamide
CID 63261449
1-ethyl-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]cyclopentane-1-carboxamide
CID 102677400
1-cyano-N-(1-hydroxy-3-phenylpropan-2-yl)cyclopentane-1-carboxamide
CID 63264607
1-(aminomethyl)-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]cyclohexane-1-carboxamide
CID 107860983
2-methyl-N-(2-methyl-1-phenylpropyl)piperidine-2-carboxamide
CID 104596225
(2S)-3-hydroxy-2-[(2-methylpiperidine-2-carbonyl)amino]propanoic acid
CID 104596612
N-[(2S)-1-hydroxypropan-2-yl]-2-methylpiperidine-2-carboxamide
CID 107218975
2-N,2-N'-bis[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1,3-dihydroindene-2,2-dicarboxamide
CID 24746259
methyl 2-[(2-methylpiperidine-2-carbonyl)amino]-2-phenylacetate
CID 104596729
N-(3-hydroxy-1-phenylpropyl)-2-methylpyrrolidine-2-carboxamide;hydrochloride
CID 110012103
2-[[1-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]carbamoyl]cyclopentyl]methyl]pentanoic acid
CID 11682031

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpiperidine-2-carboxamide?
The IUPAC name of N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpiperidine-2-carboxamide (CID 107863134) is N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpiperidine-2-carboxamide.
What is the SMILES notation for N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpiperidine-2-carboxamide?
The canonical SMILES for N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpiperidine-2-carboxamide is CC1(C(=O)N[C@H](CO)Cc2ccccc2)CCCCN1.
What is the InChIKey of N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpiperidine-2-carboxamide?
The InChIKey is SONNJVWGRRKEIK-LBAUFKAWSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-16(9-5-6-10-17-16)15(20)18-14(12-19)11-13-7-3-2-4-8-13/h2-4,7-8,14,17,19H,5-6,9-12H2,1H3,(H,18,20)/t14-,16?/m0/s1.
What are the key properties of N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpiperidine-2-carboxamide?
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpiperidine-2-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 1.24, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpiperidine-2-carboxamide is sourced from PubChem (CID 107863134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).