(2S,4S)-N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-2-methylpiperidine-4-carboxamide

C18H24N4O2 — CID 120637714

IUPAC(2S,4S)-N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-2-methylpiperidine-4-carboxamide
SMILESCC(NC(=O)[C@H]1CCN[C@@H](C)C1)c1noc(Cc2ccccc2)n1
InChIInChI=1S/C18H24N4O2/c1-12-10-15(8-9-19-12)18(23)20-13(2)17-21-16(24-22-17)11-14-6-4-3-5-7-14/h3-7,12-13,15,19H,8-11H2,1-2H3,(H,20,23)/t12-,13?,15-/m0/s1
InChIKeyINIAQGPRIRLENX-YOYPFHDYSA-N
MW328.42 g/mol
LogP2.23
Rot. Bonds5

About (2S,4S)-N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-2-methylpiperidine-4-carboxamide

(2S,4S)-N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-2-methylpiperidine-4-carboxamide (PubChem CID 120637714) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is (2S,4S)-N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-2-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name(2S,4S)-N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-2-methylpiperidine-4-carboxamide
PubChem CID120637714
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name(2S,4S)-N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-2-methylpiperidine-4-carboxamide
SMILESCC(NC(=O)[C@H]1CCN[C@@H](C)C1)c1noc(Cc2ccccc2)n1
InChIInChI=1S/C18H24N4O2/c1-12-10-15(8-9-19-12)18(23)20-13(2)17-21-16(24-22-17)11-14-6-4-3-5-7-14/h3-7,12-13,15,19H,8-11H2,1-2H3,(H,20,23)/t12-,13?,15-/m0/s1
InChIKeyINIAQGPRIRLENX-YOYPFHDYSA-N
XLogP2.23
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 71860907
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CID 154877094
2-methyl-N-(1-phenylethyl)piperidine-4-carboxamide
CID 106738514
(2S,5R)-5-(aminomethyl)-N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]oxolane-2-carboxamide
CID 120795854
N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119813753
(2R)-2-amino-N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]propanamide
CID 119340836
1-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(3-hydroxy-4-methylpentyl)urea
CID 111861288
N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-1H-indole-5-carboxamide
CID 71923906
3-amino-N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-3-phenylpropanamide;hydrochloride
CID 119952323
N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119813739
(2S,4S)-N-benzyl-2-methylpiperidine-4-carboxamide
CID 120616011
N-benzyl-2-methylpiperidine-4-carboxamide
CID 106738530

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-2-methylpiperidine-4-carboxamide?
The IUPAC name of (2S,4S)-N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-2-methylpiperidine-4-carboxamide (CID 120637714) is (2S,4S)-N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-2-methylpiperidine-4-carboxamide.
What is the SMILES notation for (2S,4S)-N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-2-methylpiperidine-4-carboxamide?
The canonical SMILES for (2S,4S)-N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-2-methylpiperidine-4-carboxamide is CC(NC(=O)[C@H]1CCN[C@@H](C)C1)c1noc(Cc2ccccc2)n1.
What is the InChIKey of (2S,4S)-N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-2-methylpiperidine-4-carboxamide?
The InChIKey is INIAQGPRIRLENX-YOYPFHDYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-12-10-15(8-9-19-12)18(23)20-13(2)17-21-16(24-22-17)11-14-6-4-3-5-7-14/h3-7,12-13,15,19H,8-11H2,1-2H3,(H,20,23)/t12-,13?,15-/m0/s1.
What are the key properties of (2S,4S)-N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-2-methylpiperidine-4-carboxamide?
(2S,4S)-N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-2-methylpiperidine-4-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-2-methylpiperidine-4-carboxamide is sourced from PubChem (CID 120637714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).