2-cyclopentyl-1-[4-(3-pyridin-4-yl-2H-oxadiazol-5-yl)piperidin-1-yl]ethanone

C19H26N4O2 — CID 68819337

IUPAC2-cyclopentyl-1-[4-(3-pyridin-4-yl-2H-oxadiazol-5-yl)piperidin-1-yl]ethanone
SMILESO=C(CC1CCCC1)N1CCC(C2=CN(c3ccncc3)NO2)CC1
InChIInChI=1S/C19H26N4O2/c24-19(13-15-3-1-2-4-15)22-11-7-16(8-12-22)18-14-23(21-25-18)17-5-9-20-10-6-17/h5-6,9-10,14-16,21H,1-4,7-8,11-13H2
InChIKeyMZRPWLNYKUZYKE-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.00
Rot. Bonds4

About 2-cyclopentyl-1-[4-(3-pyridin-4-yl-2H-oxadiazol-5-yl)piperidin-1-yl]ethanone

2-cyclopentyl-1-[4-(3-pyridin-4-yl-2H-oxadiazol-5-yl)piperidin-1-yl]ethanone (PubChem CID 68819337) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 2-cyclopentyl-1-[4-(3-pyridin-4-yl-2H-oxadiazol-5-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclopentyl-1-[4-(3-pyridin-4-yl-2H-oxadiazol-5-yl)piperidin-1-yl]ethanone
PubChem CID68819337
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name2-cyclopentyl-1-[4-(3-pyridin-4-yl-2H-oxadiazol-5-yl)piperidin-1-yl]ethanone
SMILESO=C(CC1CCCC1)N1CCC(C2=CN(c3ccncc3)NO2)CC1
InChIInChI=1S/C19H26N4O2/c24-19(13-15-3-1-2-4-15)22-11-7-16(8-12-22)18-14-23(21-25-18)17-5-9-20-10-6-17/h5-6,9-10,14-16,21H,1-4,7-8,11-13H2
InChIKeyMZRPWLNYKUZYKE-UHFFFAOYSA-N
XLogP3.00
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclohexyl-1-(4-pyridin-4-ylpiperidin-1-yl)ethanone
CID 22585642
2-cyclopentyl-1-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone
CID 72915173
2-cyclohexyl-1-[4-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]ethanone
CID 46974021
2-cyclohexyl-1-(4-phenylpiperazin-1-yl)ethanone
CID 806694
1-[(4aR,8aR)-4-(pyridin-4-ylmethyl)-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-2-cyclopentylethanone
CID 124795101
2-cyclopentyl-1-[4-(6-pyrazol-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]ethanone
CID 126912797
1-(4-aminopiperidin-1-yl)-2-pyridin-4-ylethanone
CID 16793351
2-cyclopentyl-1-[(3S)-3-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethanone
CID 95111158
2-cyclopentyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 78768063
1-(2-cyclohexylacetyl)piperidine-4-carboxylic acid
CID 43183394
2-cyclohexyl-1-(3-pyrimidin-4-yloxypiperidin-1-yl)ethanone
CID 122259749
2-[1-[3-(4-pyridin-4-ylpiperazin-1-yl)propanoyl]piperidin-4-yl]acetic acid
CID 21462820

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-[4-(3-pyridin-4-yl-2H-oxadiazol-5-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-cyclopentyl-1-[4-(3-pyridin-4-yl-2H-oxadiazol-5-yl)piperidin-1-yl]ethanone (CID 68819337) is 2-cyclopentyl-1-[4-(3-pyridin-4-yl-2H-oxadiazol-5-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-cyclopentyl-1-[4-(3-pyridin-4-yl-2H-oxadiazol-5-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-cyclopentyl-1-[4-(3-pyridin-4-yl-2H-oxadiazol-5-yl)piperidin-1-yl]ethanone is O=C(CC1CCCC1)N1CCC(C2=CN(c3ccncc3)NO2)CC1.
What is the InChIKey of 2-cyclopentyl-1-[4-(3-pyridin-4-yl-2H-oxadiazol-5-yl)piperidin-1-yl]ethanone?
The InChIKey is MZRPWLNYKUZYKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c24-19(13-15-3-1-2-4-15)22-11-7-16(8-12-22)18-14-23(21-25-18)17-5-9-20-10-6-17/h5-6,9-10,14-16,21H,1-4,7-8,11-13H2.
What are the key properties of 2-cyclopentyl-1-[4-(3-pyridin-4-yl-2H-oxadiazol-5-yl)piperidin-1-yl]ethanone?
2-cyclopentyl-1-[4-(3-pyridin-4-yl-2H-oxadiazol-5-yl)piperidin-1-yl]ethanone has a molecular weight of 342.44 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-[4-(3-pyridin-4-yl-2H-oxadiazol-5-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 68819337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).