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

C18H21FN4O2 — CID 71935175

IUPACN-[2-(4-fluorophenyl)cyclopropyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
SMILESCc1noc(C2CCN(C(=O)NC3CC3c3ccc(F)cc3)CC2)n1
InChIInChI=1S/C18H21FN4O2/c1-11-20-17(25-22-11)13-6-8-23(9-7-13)18(24)21-16-10-15(16)12-2-4-14(19)5-3-12/h2-5,13,15-16H,6-10H2,1H3,(H,21,24)
InChIKeyULBLJWDECMAOIV-UHFFFAOYSA-N
MW344.39 g/mol
LogP2.96
Rot. Bonds3

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

N-[2-(4-fluorophenyl)cyclopropyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide (PubChem CID 71935175) has the molecular formula C18H21FN4O2 and a molecular weight of 344.39 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)cyclopropyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)cyclopropyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
PubChem CID71935175
Molecular FormulaC18H21FN4O2
Molecular Weight344.39 g/mol
Exact Mass344.16
IUPAC NameN-[2-(4-fluorophenyl)cyclopropyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
SMILESCc1noc(C2CCN(C(=O)NC3CC3c3ccc(F)cc3)CC2)n1
InChIInChI=1S/C18H21FN4O2/c1-11-20-17(25-22-11)13-6-8-23(9-7-13)18(24)21-16-10-15(16)12-2-4-14(19)5-3-12/h2-5,13,15-16H,6-10H2,1H3,(H,21,24)
InChIKeyULBLJWDECMAOIV-UHFFFAOYSA-N
XLogP2.96
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[acetyl(methyl)amino]-N-[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]piperidine-1-carboxamide
CID 97092884
N-[(3,4-difluorophenyl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 146122455
methyl (2R)-2-(4-fluorophenyl)-2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetate
CID 95280296
N-(4-fluorophenyl)-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 50769479
N-(3,5-dimethylphenyl)-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 50769376
N-[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-4-(4-methoxypyrimidin-2-yl)piperazine-1-carboxamide
CID 126791623
[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-[(1S,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanone
CID 97315247
4-methyl-N-(2-phenylcyclopropyl)piperidine-1-carboxamide
CID 60586425
(2-cyclopropylcyclopropyl)-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 71923599
N-benzyl-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 50769544
N-(2-methyl-1,3-benzoxazol-5-yl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 71915800
1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one
CID 155982970

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)cyclopropyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)cyclopropyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide (CID 71935175) is N-[2-(4-fluorophenyl)cyclopropyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)cyclopropyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)cyclopropyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide is Cc1noc(C2CCN(C(=O)NC3CC3c3ccc(F)cc3)CC2)n1.
What is the InChIKey of N-[2-(4-fluorophenyl)cyclopropyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
The InChIKey is ULBLJWDECMAOIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O2/c1-11-20-17(25-22-11)13-6-8-23(9-7-13)18(24)21-16-10-15(16)12-2-4-14(19)5-3-12/h2-5,13,15-16H,6-10H2,1H3,(H,21,24).
What are the key properties of N-[2-(4-fluorophenyl)cyclopropyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
N-[2-(4-fluorophenyl)cyclopropyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide has a molecular weight of 344.39 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)cyclopropyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide is sourced from PubChem (CID 71935175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).