(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propan-2-ylpiperidine-1-carboxamide

C12H20N4O2 — CID 94178848

IUPAC(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propan-2-ylpiperidine-1-carboxamide
SMILESCc1noc([C@H]2CCCN(C(=O)NC(C)C)C2)n1
InChIInChI=1S/C12H20N4O2/c1-8(2)13-12(17)16-6-4-5-10(7-16)11-14-9(3)15-18-11/h8,10H,4-7H2,1-3H3,(H,13,17)/t10-/m0/s1
InChIKeyBWTKSDWCMNMXDH-JTQLQIEISA-N
MW252.32 g/mol
LogP1.68
Rot. Bonds2

About (3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propan-2-ylpiperidine-1-carboxamide

(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propan-2-ylpiperidine-1-carboxamide (PubChem CID 94178848) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is (3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propan-2-ylpiperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propan-2-ylpiperidine-1-carboxamide
PubChem CID94178848
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propan-2-ylpiperidine-1-carboxamide
SMILESCc1noc([C@H]2CCCN(C(=O)NC(C)C)C2)n1
InChIInChI=1S/C12H20N4O2/c1-8(2)13-12(17)16-6-4-5-10(7-16)11-14-9(3)15-18-11/h8,10H,4-7H2,1-3H3,(H,13,17)/t10-/m0/s1
InChIKeyBWTKSDWCMNMXDH-JTQLQIEISA-N
XLogP1.68
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 97003531
(3S)-N-[(1R)-1-(3-fluoro-4-pyridinyl)ethyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 124744324
(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(2R)-1-thiophen-3-ylpropan-2-yl]piperidine-1-carboxamide
CID 95284024
(2S)-2-amino-3-methyl-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one;hydrochloride
CID 119112368
N-[(2R)-1-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1-oxopropan-2-yl]methanesulfonamide
CID 97314416
(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(2S)-1-(3-methylphenoxy)propan-2-yl]piperidine-1-carboxamide
CID 52515078
(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[2-(2,4,6-trimethylphenyl)ethyl]piperidine-1-carboxamide
CID 94801111
(2S)-2-amino-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one
CID 119112349
N-[[dimethyl(phenyl)silyl]methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 119038571
3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1H-pyrazol-4-yl)piperidine-1-carboxamide
CID 47388339
methyl N-[(2R)-4-methyl-1-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1-oxopentan-2-yl]carbamate
CID 95153308
1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3,3-diphenylpropan-1-one
CID 51120866

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propan-2-ylpiperidine-1-carboxamide?
The IUPAC name of (3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propan-2-ylpiperidine-1-carboxamide (CID 94178848) is (3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propan-2-ylpiperidine-1-carboxamide.
What is the SMILES notation for (3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propan-2-ylpiperidine-1-carboxamide?
The canonical SMILES for (3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propan-2-ylpiperidine-1-carboxamide is Cc1noc([C@H]2CCCN(C(=O)NC(C)C)C2)n1.
What is the InChIKey of (3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propan-2-ylpiperidine-1-carboxamide?
The InChIKey is BWTKSDWCMNMXDH-JTQLQIEISA-N. The full InChI is InChI=1S/C12H20N4O2/c1-8(2)13-12(17)16-6-4-5-10(7-16)11-14-9(3)15-18-11/h8,10H,4-7H2,1-3H3,(H,13,17)/t10-/m0/s1.
What are the key properties of (3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propan-2-ylpiperidine-1-carboxamide?
(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propan-2-ylpiperidine-1-carboxamide has a molecular weight of 252.32 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propan-2-ylpiperidine-1-carboxamide is sourced from PubChem (CID 94178848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).