(3S)-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-1-[(2S)-2-methylbutanoyl]piperidine-3-carboxamide

C20H30N2O3 — CID 100880125

IUPAC(3S)-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-1-[(2S)-2-methylbutanoyl]piperidine-3-carboxamide
SMILESCC[C@H](C)C(=O)N1CCC[C@H](C(=O)N[C@@H](CO)Cc2ccccc2)C1
InChIInChI=1S/C20H30N2O3/c1-3-15(2)20(25)22-11-7-10-17(13-22)19(24)21-18(14-23)12-16-8-5-4-6-9-16/h4-6,8-9,15,17-18,23H,3,7,10-14H2,1-2H3,(H,21,24)/t15-,17-,18+/m0/s1
InChIKeyBLZWFZPRJGIRNK-RYQLBKOJSA-N
MW346.47 g/mol
LogP1.99
Rot. Bonds7

About (3S)-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-1-[(2S)-2-methylbutanoyl]piperidine-3-carboxamide

(3S)-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-1-[(2S)-2-methylbutanoyl]piperidine-3-carboxamide (PubChem CID 100880125) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is (3S)-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-1-[(2S)-2-methylbutanoyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-1-[(2S)-2-methylbutanoyl]piperidine-3-carboxamide
PubChem CID100880125
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Name(3S)-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-1-[(2S)-2-methylbutanoyl]piperidine-3-carboxamide
SMILESCC[C@H](C)C(=O)N1CCC[C@H](C(=O)N[C@@H](CO)Cc2ccccc2)C1
InChIInChI=1S/C20H30N2O3/c1-3-15(2)20(25)22-11-7-10-17(13-22)19(24)21-18(14-23)12-16-8-5-4-6-9-16/h4-6,8-9,15,17-18,23H,3,7,10-14H2,1-2H3,(H,21,24)/t15-,17-,18+/m0/s1
InChIKeyBLZWFZPRJGIRNK-RYQLBKOJSA-N
XLogP1.99
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3S)-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-1-[(2S)-2-methylbutanoyl]piperidine-3-carboxamide with MolForge

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Related Compounds

1-butanoyl-N-(1-hydroxy-3-phenylpropan-2-yl)piperidine-3-carboxamide
CID 109388022
N-(1-hydroxybutan-2-yl)-1-(2-methylpropanoyl)piperidine-3-carboxamide
CID 43427722
1-acetyl-N-(1-hydroxy-3-phenylpropan-2-yl)piperidine-4-carboxamide
CID 110673545
4-[(1-butanoylpiperidine-3-carbonyl)amino]-5-phenylpentanoic acid
CID 120547104
2-methyl-1-(3-methylpiperidin-1-yl)-3-phenylpropan-1-one
CID 110355924
4-methyl-2-[[1-(2-methylbutanoyl)piperidine-3-carbonyl]amino]pentanoic acid
CID 119188599
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-methylcyclohexane-1-carboxamide
CID 164537987
2-[(1-butanoylpiperidine-3-carbonyl)amino]-3-phenylpropanoic acid
CID 119165985
N-(1-hydroxy-3-phenylpropan-2-yl)pyrrolidine-1-carboxamide
CID 113224124
N-(1-hydroxybutan-2-yl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 110886255
N-[(2-ethoxyphenyl)methyl]-1-(2-methylbutanoyl)piperidine-3-carboxamide
CID 51106693
(3R)-N-[(2-ethoxyphenyl)methyl]-1-[(2S)-2-methylbutanoyl]piperidine-3-carboxamide
CID 94822300

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-1-[(2S)-2-methylbutanoyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-1-[(2S)-2-methylbutanoyl]piperidine-3-carboxamide (CID 100880125) is (3S)-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-1-[(2S)-2-methylbutanoyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-1-[(2S)-2-methylbutanoyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-1-[(2S)-2-methylbutanoyl]piperidine-3-carboxamide is CC[C@H](C)C(=O)N1CCC[C@H](C(=O)N[C@@H](CO)Cc2ccccc2)C1.
What is the InChIKey of (3S)-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-1-[(2S)-2-methylbutanoyl]piperidine-3-carboxamide?
The InChIKey is BLZWFZPRJGIRNK-RYQLBKOJSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-3-15(2)20(25)22-11-7-10-17(13-22)19(24)21-18(14-23)12-16-8-5-4-6-9-16/h4-6,8-9,15,17-18,23H,3,7,10-14H2,1-2H3,(H,21,24)/t15-,17-,18+/m0/s1.
What are the key properties of (3S)-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-1-[(2S)-2-methylbutanoyl]piperidine-3-carboxamide?
(3S)-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-1-[(2S)-2-methylbutanoyl]piperidine-3-carboxamide has a molecular weight of 346.47 g/mol, XLogP of 1.99, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-1-[(2S)-2-methylbutanoyl]piperidine-3-carboxamide is sourced from PubChem (CID 100880125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).