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

C17H22N4O2 — CID 119344384

IUPACN-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-3-carboxamide
SMILESCC(NC(=O)C1CCCNC1)c1nc(Cc2ccccc2)no1
InChIInChI=1S/C17H22N4O2/c1-12(19-16(22)14-8-5-9-18-11-14)17-20-15(21-23-17)10-13-6-3-2-4-7-13/h2-4,6-7,12,14,18H,5,8-11H2,1H3,(H,19,22)
InChIKeyOEPUIVIFQAGNRX-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.84
Rot. Bonds5

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

N-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-3-carboxamide (PubChem CID 119344384) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is N-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-3-carboxamide
PubChem CID119344384
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC NameN-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-3-carboxamide
SMILESCC(NC(=O)C1CCCNC1)c1nc(Cc2ccccc2)no1
InChIInChI=1S/C17H22N4O2/c1-12(19-16(22)14-8-5-9-18-11-14)17-20-15(21-23-17)10-13-6-3-2-4-7-13/h2-4,6-7,12,14,18H,5,8-11H2,1H3,(H,19,22)
InChIKeyOEPUIVIFQAGNRX-UHFFFAOYSA-N
XLogP1.84
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,5R)-5-(aminomethyl)-N-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]oxolane-2-carboxamide;hydrochloride
CID 120796389
N-(1-phenylethyl)piperidine-3-carboxamide
CID 18071982
(2S,5R)-5-(aminomethyl)-N-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]oxolane-2-carboxamide
CID 120796390
1-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111841207
(3S)-N-[(1R)-1-pyridin-2-ylethyl]piperidine-3-carboxamide
CID 81407106
N-[(1R)-1-pyrimidin-2-ylethyl]piperidine-3-carboxamide
CID 175719155
2-amino-N-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-2-methylpropanamide
CID 119344366
(3R)-N-[(1R)-1-pyridin-3-ylethyl]piperidine-3-carboxamide
CID 81404831
N-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine
CID 119138999
N-[1-(benzylamino)-1-oxopropan-2-yl]piperidine-3-carboxamide;hydrochloride
CID 119304562
1-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(2-hydroxy-4-methylpentyl)urea
CID 111841214
N-[1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119817239

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-3-carboxamide?
The IUPAC name of N-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-3-carboxamide (CID 119344384) is N-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-3-carboxamide?
The canonical SMILES for N-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-3-carboxamide is CC(NC(=O)C1CCCNC1)c1nc(Cc2ccccc2)no1.
What is the InChIKey of N-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-3-carboxamide?
The InChIKey is OEPUIVIFQAGNRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-12(19-16(22)14-8-5-9-18-11-14)17-20-15(21-23-17)10-13-6-3-2-4-7-13/h2-4,6-7,12,14,18H,5,8-11H2,1H3,(H,19,22).
What are the key properties of N-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-3-carboxamide?
N-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-3-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 119344384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).