(3S,5R)-N-[(2S)-butan-2-yl]-1-(furan-3-carbonyl)-5-phenylpiperidine-3-carboxamide

C21H26N2O3 — CID 92999981

IUPAC(3S,5R)-N-[(2S)-butan-2-yl]-1-(furan-3-carbonyl)-5-phenylpiperidine-3-carboxamide
SMILESCC[C@H](C)NC(=O)[C@H]1C[C@H](c2ccccc2)CN(C(=O)c2ccoc2)C1
InChIInChI=1S/C21H26N2O3/c1-3-15(2)22-20(24)19-11-18(16-7-5-4-6-8-16)12-23(13-19)21(25)17-9-10-26-14-17/h4-10,14-15,18-19H,3,11-13H2,1-2H3,(H,22,24)/t15-,18-,19-/m0/s1
InChIKeyPSKXAUMEHHMCFT-SNRMKQJTSA-N
MW354.45 g/mol
LogP3.44
Rot. Bonds5

About (3S,5R)-N-[(2S)-butan-2-yl]-1-(furan-3-carbonyl)-5-phenylpiperidine-3-carboxamide

(3S,5R)-N-[(2S)-butan-2-yl]-1-(furan-3-carbonyl)-5-phenylpiperidine-3-carboxamide (PubChem CID 92999981) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is (3S,5R)-N-[(2S)-butan-2-yl]-1-(furan-3-carbonyl)-5-phenylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S,5R)-N-[(2S)-butan-2-yl]-1-(furan-3-carbonyl)-5-phenylpiperidine-3-carboxamide
PubChem CID92999981
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name(3S,5R)-N-[(2S)-butan-2-yl]-1-(furan-3-carbonyl)-5-phenylpiperidine-3-carboxamide
SMILESCC[C@H](C)NC(=O)[C@H]1C[C@H](c2ccccc2)CN(C(=O)c2ccoc2)C1
InChIInChI=1S/C21H26N2O3/c1-3-15(2)22-20(24)19-11-18(16-7-5-4-6-8-16)12-23(13-19)21(25)17-9-10-26-14-17/h4-10,14-15,18-19H,3,11-13H2,1-2H3,(H,22,24)/t15-,18-,19-/m0/s1
InChIKeyPSKXAUMEHHMCFT-SNRMKQJTSA-N
XLogP3.44
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-1-(furan-3-carbonyl)-5-phenylpiperidine-3-carboxamide
CID 46071052
(3S,5R)-N-[(2R)-butan-2-yl]-1-(4-fluorobenzoyl)-5-phenylpiperidine-3-carboxamide
CID 92994677
(3R,5S)-5-(4-ethylphenyl)-1-(furan-3-carbonyl)-N-[(1S)-1-phenylethyl]piperidine-3-carboxamide
CID 93000015
N-[(2S)-butan-2-yl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 39992604
N-[(2R)-butan-2-yl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 39992601
N-(3-chlorophenyl)-1-(furan-3-carbonyl)-5-phenylpiperidine-3-carboxamide
CID 42869328
(3R,5S)-1-benzoyl-N-ethyl-5-phenylpiperidine-3-carboxamide
CID 92994765
1-benzoyl-N-ethyl-5-phenylpiperidine-3-carboxamide
CID 46065014
1-N,3-N-diethyl-5-phenylpiperidine-1,3-dicarboxamide
CID 42865414
(3S)-N-ethyl-1-(furan-3-carbonyl)piperidine-3-carboxamide
CID 30830527
(3R,5S)-N-cyclopropyl-1-(4-fluorobenzoyl)-5-phenylpiperidine-3-carboxamide
CID 92994693
1-benzoyl-N-[(2S)-pentan-2-yl]piperidine-4-carboxamide
CID 41024910

Frequently Asked Questions

What is the IUPAC name of (3S,5R)-N-[(2S)-butan-2-yl]-1-(furan-3-carbonyl)-5-phenylpiperidine-3-carboxamide?
The IUPAC name of (3S,5R)-N-[(2S)-butan-2-yl]-1-(furan-3-carbonyl)-5-phenylpiperidine-3-carboxamide (CID 92999981) is (3S,5R)-N-[(2S)-butan-2-yl]-1-(furan-3-carbonyl)-5-phenylpiperidine-3-carboxamide.
What is the SMILES notation for (3S,5R)-N-[(2S)-butan-2-yl]-1-(furan-3-carbonyl)-5-phenylpiperidine-3-carboxamide?
The canonical SMILES for (3S,5R)-N-[(2S)-butan-2-yl]-1-(furan-3-carbonyl)-5-phenylpiperidine-3-carboxamide is CC[C@H](C)NC(=O)[C@H]1C[C@H](c2ccccc2)CN(C(=O)c2ccoc2)C1.
What is the InChIKey of (3S,5R)-N-[(2S)-butan-2-yl]-1-(furan-3-carbonyl)-5-phenylpiperidine-3-carboxamide?
The InChIKey is PSKXAUMEHHMCFT-SNRMKQJTSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-3-15(2)22-20(24)19-11-18(16-7-5-4-6-8-16)12-23(13-19)21(25)17-9-10-26-14-17/h4-10,14-15,18-19H,3,11-13H2,1-2H3,(H,22,24)/t15-,18-,19-/m0/s1.
What are the key properties of (3S,5R)-N-[(2S)-butan-2-yl]-1-(furan-3-carbonyl)-5-phenylpiperidine-3-carboxamide?
(3S,5R)-N-[(2S)-butan-2-yl]-1-(furan-3-carbonyl)-5-phenylpiperidine-3-carboxamide has a molecular weight of 354.45 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-N-[(2S)-butan-2-yl]-1-(furan-3-carbonyl)-5-phenylpiperidine-3-carboxamide is sourced from PubChem (CID 92999981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).