(1-methylcyclopropyl) 4-[5-(2-cyclopentyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate

C22H28N4O3 — CID 142573575

IUPAC(1-methylcyclopropyl) 4-[5-(2-cyclopentyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate
SMILESCC1(OC(=O)N2CCC(c3noc(-c4ccnc(C5CCCC5)c4)n3)CC2)CC1
InChIInChI=1S/C22H28N4O3/c1-22(9-10-22)28-21(27)26-12-7-16(8-13-26)19-24-20(29-25-19)17-6-11-23-18(14-17)15-4-2-3-5-15/h6,11,14-16H,2-5,7-10,12-13H2,1H3
InChIKeyVWXPWGLCJZCNOF-UHFFFAOYSA-N
MW396.49 g/mol
LogP4.66
Rot. Bonds4

About (1-methylcyclopropyl) 4-[5-(2-cyclopentyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate

(1-methylcyclopropyl) 4-[5-(2-cyclopentyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate (PubChem CID 142573575) has the molecular formula C22H28N4O3 and a molecular weight of 396.49 g/mol. Its IUPAC name is (1-methylcyclopropyl) 4-[5-(2-cyclopentyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Name(1-methylcyclopropyl) 4-[5-(2-cyclopentyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate
PubChem CID142573575
Molecular FormulaC22H28N4O3
Molecular Weight396.49 g/mol
Exact Mass396.22
IUPAC Name(1-methylcyclopropyl) 4-[5-(2-cyclopentyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate
SMILESCC1(OC(=O)N2CCC(c3noc(-c4ccnc(C5CCCC5)c4)n3)CC2)CC1
InChIInChI=1S/C22H28N4O3/c1-22(9-10-22)28-21(27)26-12-7-16(8-13-26)19-24-20(29-25-19)17-6-11-23-18(14-17)15-4-2-3-5-15/h6,11,14-16H,2-5,7-10,12-13H2,1H3
InChIKeyVWXPWGLCJZCNOF-UHFFFAOYSA-N
XLogP4.66
TPSA81.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (1-methylcyclopropyl) 4-[5-(2-cyclopentyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

(1-methylcyclopropyl) 4-[5-[2-(1-methylpyrazol-3-yl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate
CID 137439638
ethyl 4-[5-[2-[(3R)-oxolan-3-yl]-4-pyridinyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate
CID 137439372
(1-fluorocyclobutyl)-[4-[5-[2-(oxolan-3-yl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone
CID 137439601
methyl 4-[5-[2-(1-methylpyrazol-4-yl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate
CID 159553532
1-[4-[5-[2-(3,3-difluoropyrrolidin-1-yl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-methylpropan-1-one
CID 137439369
[4-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]methanamine
CID 114324958
3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)benzoic acid
CID 65390325
cyclobutyl-[4-[5-[2-(3,3-difluoropyrrolidin-1-yl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone
CID 155066698
(1-methylcyclopropyl) 4-[5-[(2S)-4-imino-4-(4-methylsulfonylphenyl)butan-2-yl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate
CID 174587281
(1-methylcyclopropyl) 4-[5-[3-(1-methylpyrazol-3-yl)-2-azaspiro[5.9]pentadecan-5-yl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate
CID 155066792
(2-methyl-3-pyridinyl) 4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate
CID 58270829
N-cyclohexyl-3-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carboxamide
CID 91905560

Frequently Asked Questions

What is the IUPAC name of (1-methylcyclopropyl) 4-[5-(2-cyclopentyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate?
The IUPAC name of (1-methylcyclopropyl) 4-[5-(2-cyclopentyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate (CID 142573575) is (1-methylcyclopropyl) 4-[5-(2-cyclopentyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate.
What is the SMILES notation for (1-methylcyclopropyl) 4-[5-(2-cyclopentyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate?
The canonical SMILES for (1-methylcyclopropyl) 4-[5-(2-cyclopentyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate is CC1(OC(=O)N2CCC(c3noc(-c4ccnc(C5CCCC5)c4)n3)CC2)CC1.
What is the InChIKey of (1-methylcyclopropyl) 4-[5-(2-cyclopentyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate?
The InChIKey is VWXPWGLCJZCNOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O3/c1-22(9-10-22)28-21(27)26-12-7-16(8-13-26)19-24-20(29-25-19)17-6-11-23-18(14-17)15-4-2-3-5-15/h6,11,14-16H,2-5,7-10,12-13H2,1H3.
What are the key properties of (1-methylcyclopropyl) 4-[5-(2-cyclopentyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate?
(1-methylcyclopropyl) 4-[5-(2-cyclopentyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate has a molecular weight of 396.49 g/mol, XLogP of 4.66, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylcyclopropyl) 4-[5-(2-cyclopentyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate is sourced from PubChem (CID 142573575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).