(3S)-N-[(1R)-1-(3-fluoro-4-pyridinyl)ethyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide

C16H20FN5O2 — CID 124744324

IUPAC(3S)-N-[(1R)-1-(3-fluoro-4-pyridinyl)ethyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
SMILESCc1noc([C@H]2CCCN(C(=O)N[C@H](C)c3ccncc3F)C2)n1
InChIInChI=1S/C16H20FN5O2/c1-10(13-5-6-18-8-14(13)17)19-16(23)22-7-3-4-12(9-22)15-20-11(2)21-24-15/h5-6,8,10,12H,3-4,7,9H2,1-2H3,(H,19,23)/t10-,12+/m1/s1
InChIKeyZWYHJNFHERKSNT-PWSUYJOCSA-N
MW333.37 g/mol
LogP2.56
Rot. Bonds3

About (3S)-N-[(1R)-1-(3-fluoro-4-pyridinyl)ethyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide

(3S)-N-[(1R)-1-(3-fluoro-4-pyridinyl)ethyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide (PubChem CID 124744324) has the molecular formula C16H20FN5O2 and a molecular weight of 333.37 g/mol. Its IUPAC name is (3S)-N-[(1R)-1-(3-fluoro-4-pyridinyl)ethyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(1R)-1-(3-fluoro-4-pyridinyl)ethyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
PubChem CID124744324
Molecular FormulaC16H20FN5O2
Molecular Weight333.37 g/mol
Exact Mass333.16
IUPAC Name(3S)-N-[(1R)-1-(3-fluoro-4-pyridinyl)ethyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
SMILESCc1noc([C@H]2CCCN(C(=O)N[C@H](C)c3ccncc3F)C2)n1
InChIInChI=1S/C16H20FN5O2/c1-10(13-5-6-18-8-14(13)17)19-16(23)22-7-3-4-12(9-22)15-20-11(2)21-24-15/h5-6,8,10,12H,3-4,7,9H2,1-2H3,(H,19,23)/t10-,12+/m1/s1
InChIKeyZWYHJNFHERKSNT-PWSUYJOCSA-N
XLogP2.56
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.37
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propan-2-ylpiperidine-1-carboxamide
CID 94178848
(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)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(2R)-1-thiophen-3-ylpropan-2-yl]piperidine-1-carboxamide
CID 95284024
(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(2S)-1-(3-methylphenoxy)propan-2-yl]piperidine-1-carboxamide
CID 52515078
[(1S)-cyclohex-3-en-1-yl]-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 94208001
(7-fluoroquinoxalin-6-yl)-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 125139632
4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyridine-3-carboxamide
CID 133442574
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
(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
[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 97313996

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(1R)-1-(3-fluoro-4-pyridinyl)ethyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
The IUPAC name of (3S)-N-[(1R)-1-(3-fluoro-4-pyridinyl)ethyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide (CID 124744324) is (3S)-N-[(1R)-1-(3-fluoro-4-pyridinyl)ethyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide.
What is the SMILES notation for (3S)-N-[(1R)-1-(3-fluoro-4-pyridinyl)ethyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
The canonical SMILES for (3S)-N-[(1R)-1-(3-fluoro-4-pyridinyl)ethyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide is Cc1noc([C@H]2CCCN(C(=O)N[C@H](C)c3ccncc3F)C2)n1.
What is the InChIKey of (3S)-N-[(1R)-1-(3-fluoro-4-pyridinyl)ethyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
The InChIKey is ZWYHJNFHERKSNT-PWSUYJOCSA-N. The full InChI is InChI=1S/C16H20FN5O2/c1-10(13-5-6-18-8-14(13)17)19-16(23)22-7-3-4-12(9-22)15-20-11(2)21-24-15/h5-6,8,10,12H,3-4,7,9H2,1-2H3,(H,19,23)/t10-,12+/m1/s1.
What are the key properties of (3S)-N-[(1R)-1-(3-fluoro-4-pyridinyl)ethyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
(3S)-N-[(1R)-1-(3-fluoro-4-pyridinyl)ethyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide has a molecular weight of 333.37 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(1R)-1-(3-fluoro-4-pyridinyl)ethyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide is sourced from PubChem (CID 124744324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).