N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-4-methylpiperidine-2-carboxamide

C16H24N2O2 — CID 107863083

IUPACN-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-4-methylpiperidine-2-carboxamide
SMILESCC1CCNC(C(=O)N[C@H](CO)Cc2ccccc2)C1
InChIInChI=1S/C16H24N2O2/c1-12-7-8-17-15(9-12)16(20)18-14(11-19)10-13-5-3-2-4-6-13/h2-6,12,14-15,17,19H,7-11H2,1H3,(H,18,20)/t12?,14-,15?/m0/s1
InChIKeyUMOSOVSCODDPBG-BLZCZZARSA-N
MW276.38 g/mol
LogP1.09
Rot. Bonds5

About N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-4-methylpiperidine-2-carboxamide

N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-4-methylpiperidine-2-carboxamide (PubChem CID 107863083) 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]-4-methylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-4-methylpiperidine-2-carboxamide
PubChem CID107863083
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-4-methylpiperidine-2-carboxamide
SMILESCC1CCNC(C(=O)N[C@H](CO)Cc2ccccc2)C1
InChIInChI=1S/C16H24N2O2/c1-12-7-8-17-15(9-12)16(20)18-14(11-19)10-13-5-3-2-4-6-13/h2-6,12,14-15,17,19H,7-11H2,1H3,(H,18,20)/t12?,14-,15?/m0/s1
InChIKeyUMOSOVSCODDPBG-BLZCZZARSA-N
XLogP1.09
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 ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]piperidine-2-carboxamide
CID 107860896
N-(1-hydroxy-3-phenylpropan-2-yl)-3-methylpyrrolidine-2-carboxamide
CID 102779429
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-methylcyclohexane-1-carboxamide
CID 164537987
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]morpholine-3-carboxamide
CID 107861025
(4R)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1,3-thiazolidine-4-carboxamide
CID 102046659
3-[(4-methylpiperidine-2-carbonyl)amino]-3-phenylpropanoic acid
CID 115867052
2-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]carbamoyl]cyclopropane-1-carboxylic acid
CID 114010079
N-(2,2-dimethyl-1-phenylpropyl)-4-methylpiperidine-2-carboxamide
CID 114423032
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 146394864
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3-methyloxolane-2-carboxamide
CID 107861447
N-(1-hydroxy-3-phenylpropan-2-yl)-5-methyloxolane-2-carboxamide
CID 81329667
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]azetidine-3-carboxamide
CID 114010271

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-4-methylpiperidine-2-carboxamide?
The IUPAC name of N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-4-methylpiperidine-2-carboxamide (CID 107863083) is N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-4-methylpiperidine-2-carboxamide.
What is the SMILES notation for N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-4-methylpiperidine-2-carboxamide?
The canonical SMILES for N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-4-methylpiperidine-2-carboxamide is CC1CCNC(C(=O)N[C@H](CO)Cc2ccccc2)C1.
What is the InChIKey of N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-4-methylpiperidine-2-carboxamide?
The InChIKey is UMOSOVSCODDPBG-BLZCZZARSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12-7-8-17-15(9-12)16(20)18-14(11-19)10-13-5-3-2-4-6-13/h2-6,12,14-15,17,19H,7-11H2,1H3,(H,18,20)/t12?,14-,15?/m0/s1.
What are the key properties of N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-4-methylpiperidine-2-carboxamide?
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-4-methylpiperidine-2-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 1.09, 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]-4-methylpiperidine-2-carboxamide is sourced from PubChem (CID 107863083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).