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

C16H19FN4O2 — CID 124595201

IUPAC(3S)-N-[(S)-(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-3-carboxamide
SMILESCc1nc([C@@H](NC(=O)[C@H]2CCCNC2)c2ccccc2F)no1
InChIInChI=1S/C16H19FN4O2/c1-10-19-15(21-23-10)14(12-6-2-3-7-13(12)17)20-16(22)11-5-4-8-18-9-11/h2-3,6-7,11,14,18H,4-5,8-9H2,1H3,(H,20,22)/t11-,14-/m0/s1
InChIKeyLAZQDMNHTDNFIJ-FZMZJTMJSA-N
MW318.35 g/mol
LogP1.72
Rot. Bonds4

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

(3S)-N-[(S)-(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-3-carboxamide (PubChem CID 124595201) has the molecular formula C16H19FN4O2 and a molecular weight of 318.35 g/mol. Its IUPAC name is (3S)-N-[(S)-(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(S)-(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-3-carboxamide
PubChem CID124595201
Molecular FormulaC16H19FN4O2
Molecular Weight318.35 g/mol
Exact Mass318.15
IUPAC Name(3S)-N-[(S)-(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-3-carboxamide
SMILESCc1nc([C@@H](NC(=O)[C@H]2CCCNC2)c2ccccc2F)no1
InChIInChI=1S/C16H19FN4O2/c1-10-19-15(21-23-10)14(12-6-2-3-7-13(12)17)20-16(22)11-5-4-8-18-9-11/h2-3,6-7,11,14,18H,4-5,8-9H2,1H3,(H,20,22)/t11-,14-/m0/s1
InChIKeyLAZQDMNHTDNFIJ-FZMZJTMJSA-N
XLogP1.72
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

trans-(1S,3S)-3-amino-N-[(R)-(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]cyclohexane-1-carboxamide
CID 125153878
(2S)-N-[(S)-(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 124696131
1-[(S)-(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(2-methylprop-2-enyl)urea
CID 99578684
(2S)-N-[(S)-(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]morpholine-2-carboxamide
CID 124687547
3-amino-N-[(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]cyclohexane-1-carboxamide
CID 119787151
N-[(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-piperidin-3-ylbutanamide
CID 119787157
(3S)-N-[1-(2-methylphenyl)ethyl]piperidine-3-carboxamide
CID 81140463
(3R)-N-[1-(2,5-difluorophenyl)ethyl]piperidine-3-carboxamide
CID 81123282
2-(2-fluorophenyl)-N-[(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,3-thiazole-4-carboxamide
CID 102557272
N-[(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrazolidine-3-carboxamide
CID 134068676
N-[(2-chlorophenyl)-(2,5-difluorophenyl)methyl]pyrrolidine-3-carboxamide
CID 119806108
N-[1-(2-chlorophenyl)ethyl]piperidine-3-carboxamide
CID 61258238

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(S)-(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-N-[(S)-(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-3-carboxamide (CID 124595201) is (3S)-N-[(S)-(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[(S)-(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-[(S)-(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-3-carboxamide is Cc1nc([C@@H](NC(=O)[C@H]2CCCNC2)c2ccccc2F)no1.
What is the InChIKey of (3S)-N-[(S)-(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-3-carboxamide?
The InChIKey is LAZQDMNHTDNFIJ-FZMZJTMJSA-N. The full InChI is InChI=1S/C16H19FN4O2/c1-10-19-15(21-23-10)14(12-6-2-3-7-13(12)17)20-16(22)11-5-4-8-18-9-11/h2-3,6-7,11,14,18H,4-5,8-9H2,1H3,(H,20,22)/t11-,14-/m0/s1.
What are the key properties of (3S)-N-[(S)-(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-3-carboxamide?
(3S)-N-[(S)-(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-3-carboxamide has a molecular weight of 318.35 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(S)-(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 124595201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).