1-benzyl-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethylpiperidine-2-carboxamide

C21H28N4O2 — CID 91830712

IUPAC1-benzyl-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethylpiperidine-2-carboxamide
SMILESCCN(Cc1noc(C2CC2)n1)C(=O)C1CCCCN1Cc1ccccc1
InChIInChI=1S/C21H28N4O2/c1-2-24(15-19-22-20(27-23-19)17-11-12-17)21(26)18-10-6-7-13-25(18)14-16-8-4-3-5-9-16/h3-5,8-9,17-18H,2,6-7,10-15H2,1H3
InChIKeyQMDDVNSUSJISJY-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.35
Rot. Bonds7

About 1-benzyl-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethylpiperidine-2-carboxamide

1-benzyl-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethylpiperidine-2-carboxamide (PubChem CID 91830712) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is 1-benzyl-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethylpiperidine-2-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethylpiperidine-2-carboxamide
PubChem CID91830712
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC Name1-benzyl-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethylpiperidine-2-carboxamide
SMILESCCN(Cc1noc(C2CC2)n1)C(=O)C1CCCCN1Cc1ccccc1
InChIInChI=1S/C21H28N4O2/c1-2-24(15-19-22-20(27-23-19)17-11-12-17)21(26)18-10-6-7-13-25(18)14-16-8-4-3-5-9-16/h3-5,8-9,17-18H,2,6-7,10-15H2,1H3
InChIKeyQMDDVNSUSJISJY-UHFFFAOYSA-N
XLogP3.35
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-benzyl-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethylpiperidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[(2S)-1-benzylpyrrolidine-2-carbonyl]-ethylamino]acetic acid
CID 124683732
methyl 1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-2-carboxylate
CID 78969711
(2S)-N-ethyl-N-(furan-3-ylmethyl)-1-(pyridin-3-ylmethyl)piperidine-2-carboxamide
CID 95629690
1-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-4-phenylbutan-1-one
CID 56728305
(2S)-1-benzyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylpyrrolidine-2-carboxamide
CID 94665811
(2R)-1-benzyl-N-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)pyrrolidine-2-carboxamide
CID 125137031
1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 60501362
[(2S)-1-benzylpiperidin-2-yl]-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]methanone
CID 97219721
5-[(2S)-1-benzylpiperidin-2-yl]-3-methyl-1,2,4-oxadiazole
CID 95051321
1-[(2S)-2-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
CID 166545183
(2S)-1-benzyl-N-[2-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]piperidine-2-carboxamide
CID 99984925
N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide
CID 56871099

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethylpiperidine-2-carboxamide?
The IUPAC name of 1-benzyl-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethylpiperidine-2-carboxamide (CID 91830712) is 1-benzyl-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethylpiperidine-2-carboxamide.
What is the SMILES notation for 1-benzyl-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethylpiperidine-2-carboxamide?
The canonical SMILES for 1-benzyl-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethylpiperidine-2-carboxamide is CCN(Cc1noc(C2CC2)n1)C(=O)C1CCCCN1Cc1ccccc1.
What is the InChIKey of 1-benzyl-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethylpiperidine-2-carboxamide?
The InChIKey is QMDDVNSUSJISJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-2-24(15-19-22-20(27-23-19)17-11-12-17)21(26)18-10-6-7-13-25(18)14-16-8-4-3-5-9-16/h3-5,8-9,17-18H,2,6-7,10-15H2,1H3.
What are the key properties of 1-benzyl-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethylpiperidine-2-carboxamide?
1-benzyl-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethylpiperidine-2-carboxamide has a molecular weight of 368.48 g/mol, XLogP of 3.35, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethylpiperidine-2-carboxamide is sourced from PubChem (CID 91830712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).