4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2-phenylcyclopropyl)piperidine-1-carboxamide

C18H22N4O2 — CID 45271599

IUPAC4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2-phenylcyclopropyl)piperidine-1-carboxamide
SMILESCc1noc(C2CCN(C(=O)NC3CC3c3ccccc3)CC2)n1
InChIInChI=1S/C18H22N4O2/c1-12-19-17(24-21-12)14-7-9-22(10-8-14)18(23)20-16-11-15(16)13-5-3-2-4-6-13/h2-6,14-16H,7-11H2,1H3,(H,20,23)
InChIKeyQTDLNCWVZXZPRJ-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.82
Rot. Bonds3

About 4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2-phenylcyclopropyl)piperidine-1-carboxamide

4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2-phenylcyclopropyl)piperidine-1-carboxamide (PubChem CID 45271599) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2-phenylcyclopropyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2-phenylcyclopropyl)piperidine-1-carboxamide
PubChem CID45271599
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2-phenylcyclopropyl)piperidine-1-carboxamide
SMILESCc1noc(C2CCN(C(=O)NC3CC3c3ccccc3)CC2)n1
InChIInChI=1S/C18H22N4O2/c1-12-19-17(24-21-12)14-7-9-22(10-8-14)18(23)20-16-11-15(16)13-5-3-2-4-6-13/h2-6,14-16H,7-11H2,1H3,(H,20,23)
InChIKeyQTDLNCWVZXZPRJ-UHFFFAOYSA-N
XLogP2.82
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(1-Methylethyl)-1,2,4-Oxadiazol-5-Yl]-N-[(1s,2r)-2-Phenylcyclopropyl]piperidine-1-Carboxamide
CID 49837853
N-((1S)-3-(4-(3-isopropyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl)-1-phenylbutyl)cyclobutanecarboxamide
CID 44590946
N-(2-phenylcyclopropyl)-4-(3-(2-(trifluoromethyl)phenyl)-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 45269104
4-(3-Benzhydryl-1,2,4-oxadiazol-5-yl)piperidine
CID 2761148
N-cyclohexyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 2006214
3-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpropanamide
CID 3159510
N-benzyl-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 3946755
2-(4-{[3-(diphenylmethyl)-1,2,4-oxadiazol-5-yl]methyl}-1-piperazinyl)-N-isopropylacetamide
CID 16189966
(S)-N-(3-(4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl)-1-phenylpropyl)cyclobutanecarboxamide
CID 44415783
N-((1S)-3-(4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl)-1-phenylbutyl)cyclobutanecarboxamide
CID 44590945
4-(1,2,4-oxadiazol-3-yl)-N-(2-phenylcyclopropyl)piperidine-1-carboxamide
CID 45267348
N-benzyl-4-(3-benzyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 118712643

Frequently Asked Questions

What is the IUPAC name of 4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2-phenylcyclopropyl)piperidine-1-carboxamide?
The IUPAC name of 4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2-phenylcyclopropyl)piperidine-1-carboxamide (CID 45271599) is 4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2-phenylcyclopropyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2-phenylcyclopropyl)piperidine-1-carboxamide?
The canonical SMILES for 4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2-phenylcyclopropyl)piperidine-1-carboxamide is Cc1noc(C2CCN(C(=O)NC3CC3c3ccccc3)CC2)n1.
What is the InChIKey of 4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2-phenylcyclopropyl)piperidine-1-carboxamide?
The InChIKey is QTDLNCWVZXZPRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-12-19-17(24-21-12)14-7-9-22(10-8-14)18(23)20-16-11-15(16)13-5-3-2-4-6-13/h2-6,14-16H,7-11H2,1H3,(H,20,23).
What are the key properties of 4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2-phenylcyclopropyl)piperidine-1-carboxamide?
4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2-phenylcyclopropyl)piperidine-1-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2-phenylcyclopropyl)piperidine-1-carboxamide is sourced from PubChem (CID 45271599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).