3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-one

C18H23N3O4 — CID 46950590

IUPAC3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-one
SMILESCc1occc1-c1nn(C2CCN(C(=O)C3CCCC3)CC2)c(=O)o1
InChIInChI=1S/C18H23N3O4/c1-12-15(8-11-24-12)16-19-21(18(23)25-16)14-6-9-20(10-7-14)17(22)13-4-2-3-5-13/h8,11,13-14H,2-7,9-10H2,1H3
InChIKeyDAQKKCXYVUUJBW-UHFFFAOYSA-N
MW345.40 g/mol
LogP2.76
Rot. Bonds3

About 3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-one

3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-one (PubChem CID 46950590) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is 3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-one
PubChem CID46950590
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC Name3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-one
SMILESCc1occc1-c1nn(C2CCN(C(=O)C3CCCC3)CC2)c(=O)o1
InChIInChI=1S/C18H23N3O4/c1-12-15(8-11-24-12)16-19-21(18(23)25-16)14-6-9-20(10-7-14)17(22)13-4-2-3-5-13/h8,11,13-14H,2-7,9-10H2,1H3
InChIKeyDAQKKCXYVUUJBW-UHFFFAOYSA-N
XLogP2.76
TPSA81.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-one with MolForge

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Related Compounds

(3R)-1-[2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]piperidine-3-carboxamide
CID 9404693
[1-(2-methylfuran-3-carbonyl)piperidin-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 42780034
1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-4-methyl-2-oxopyridine-3-carboxylic acid
CID 170512055
2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-[(2R)-2-methylpiperidin-1-yl]ethanone
CID 2126916
cyclopentyl-[4-[6-(2-methylphenyl)pyrazin-2-yl]piperidin-1-yl]methanone
CID 95819881
(2R)-N-[2-[1-(cyclopentanecarbonyl)piperidin-4-yl]pyrazol-3-yl]-2-methoxy-2-phenylacetamide
CID 25452567
N-[1-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]pyrazol-3-yl]acetamide
CID 129004093
3-[1-[1-(4-chlorophenyl)cyclopropanecarbonyl]piperidin-4-yl]-5-phenyl-1,3,4-oxadiazol-2-one
CID 23612567
ethyl 1-[1-(cyclohexanecarbonyl)piperidin-4-yl]-5-(4-ethylphenyl)pyrazole-3-carboxylate
CID 46097620
cyclopentyl-(2-methylfuran-3-yl)methanone
CID 104789343
(4-benzylpiperidin-1-yl)-[1-(2-methylfuran-3-carbonyl)piperidin-3-yl]methanone
CID 3492446
cyclopropyl-[4-(5-methylindazol-1-yl)piperidin-1-yl]methanone
CID 142607961

Frequently Asked Questions

What is the IUPAC name of 3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-one?
The IUPAC name of 3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-one (CID 46950590) is 3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-one?
The canonical SMILES for 3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-one is Cc1occc1-c1nn(C2CCN(C(=O)C3CCCC3)CC2)c(=O)o1.
What is the InChIKey of 3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-one?
The InChIKey is DAQKKCXYVUUJBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4/c1-12-15(8-11-24-12)16-19-21(18(23)25-16)14-6-9-20(10-7-14)17(22)13-4-2-3-5-13/h8,11,13-14H,2-7,9-10H2,1H3.
What are the key properties of 3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-one?
3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-one has a molecular weight of 345.40 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 46950590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).