(3S)-1-benzyl-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]piperidine-3-carboxamide

C25H30N4O2 — CID 100777408

IUPAC(3S)-1-benzyl-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]piperidine-3-carboxamide
SMILESCC(C)c1nc(Cc2ccc(NC(=O)[C@H]3CCCN(Cc4ccccc4)C3)cc2)no1
InChIInChI=1S/C25H30N4O2/c1-18(2)25-27-23(28-31-25)15-19-10-12-22(13-11-19)26-24(30)21-9-6-14-29(17-21)16-20-7-4-3-5-8-20/h3-5,7-8,10-13,18,21H,6,9,14-17H2,1-2H3,(H,26,30)/t21-/m0/s1
InChIKeyAIMPRTXYLAWPDI-NRFANRHFSA-N
MW418.54 g/mol
LogP4.63
Rot. Bonds7

About (3S)-1-benzyl-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]piperidine-3-carboxamide

(3S)-1-benzyl-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]piperidine-3-carboxamide (PubChem CID 100777408) has the molecular formula C25H30N4O2 and a molecular weight of 418.54 g/mol. Its IUPAC name is (3S)-1-benzyl-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-benzyl-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]piperidine-3-carboxamide
PubChem CID100777408
Molecular FormulaC25H30N4O2
Molecular Weight418.54 g/mol
Exact Mass418.24
IUPAC Name(3S)-1-benzyl-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]piperidine-3-carboxamide
SMILESCC(C)c1nc(Cc2ccc(NC(=O)[C@H]3CCCN(Cc4ccccc4)C3)cc2)no1
InChIInChI=1S/C25H30N4O2/c1-18(2)25-27-23(28-31-25)15-19-10-12-22(13-11-19)26-24(30)21-9-6-14-29(17-21)16-20-7-4-3-5-8-20/h3-5,7-8,10-13,18,21H,6,9,14-17H2,1-2H3,(H,26,30)/t21-/m0/s1
InChIKeyAIMPRTXYLAWPDI-NRFANRHFSA-N
XLogP4.63
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-N-(4-propan-2-yloxyphenyl)piperidine-3-carboxamide
CID 43925293
1-benzyl-N-methylpiperidine-3-carboxamide
CID 43918327
(3R)-1-(5-fluoro-2-methoxyphenyl)sulfonyl-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]piperidine-3-carboxamide
CID 100796082
(3S)-1-benzyl-N-(4-phenoxyphenyl)piperidine-3-carboxamide
CID 93490714
1-benzyl-N-[3-(phenylcarbamoylamino)phenyl]piperidine-3-carboxamide
CID 47074842
1-benzyl-N-(4-phenoxyphenyl)piperidine-3-carboxamide
CID 43919796
1-benzyl-N-(3,4-dichlorophenyl)piperidine-3-carboxamide
CID 43925060
(3R)-1-benzyl-N-propan-2-ylpiperidine-3-carboxamide
CID 93490052
(3S)-1-benzyl-N-(3,4-dimethylphenyl)piperidine-3-carboxamide
CID 93490442
1-benzyl-N-(4-phenylmethoxyphenyl)piperidine-3-carboxamide
CID 43922210
1-benzyl-N-(6-pyrazol-1-yl-3-pyridinyl)piperidine-3-carboxamide
CID 47804635
N-phenyl-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 43929041

Frequently Asked Questions

What is the IUPAC name of (3S)-1-benzyl-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-benzyl-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]piperidine-3-carboxamide (CID 100777408) is (3S)-1-benzyl-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-benzyl-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-benzyl-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]piperidine-3-carboxamide is CC(C)c1nc(Cc2ccc(NC(=O)[C@H]3CCCN(Cc4ccccc4)C3)cc2)no1.
What is the InChIKey of (3S)-1-benzyl-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]piperidine-3-carboxamide?
The InChIKey is AIMPRTXYLAWPDI-NRFANRHFSA-N. The full InChI is InChI=1S/C25H30N4O2/c1-18(2)25-27-23(28-31-25)15-19-10-12-22(13-11-19)26-24(30)21-9-6-14-29(17-21)16-20-7-4-3-5-8-20/h3-5,7-8,10-13,18,21H,6,9,14-17H2,1-2H3,(H,26,30)/t21-/m0/s1.
What are the key properties of (3S)-1-benzyl-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]piperidine-3-carboxamide?
(3S)-1-benzyl-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]piperidine-3-carboxamide has a molecular weight of 418.54 g/mol, XLogP of 4.63, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-benzyl-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 100777408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).