cyclobutyl-[2-[5-(3,3-difluoropiperidine-1-carbonyl)thiophen-2-yl]pyrrolidin-1-yl]methanone

C19H24F2N2O2S — CID 45183183

IUPACcyclobutyl-[2-[5-(3,3-difluoropiperidine-1-carbonyl)thiophen-2-yl]pyrrolidin-1-yl]methanone
SMILESO=C(c1ccc(C2CCCN2C(=O)C2CCC2)s1)N1CCCC(F)(F)C1
InChIInChI=1S/C19H24F2N2O2S/c20-19(21)9-3-10-22(12-19)18(25)16-8-7-15(26-16)14-6-2-11-23(14)17(24)13-4-1-5-13/h7-8,13-14H,1-6,9-12H2
InChIKeyFUYMNKVSFMSLEE-UHFFFAOYSA-N
MW382.48 g/mol
LogP4.08
Rot. Bonds3

About cyclobutyl-[2-[5-(3,3-difluoropiperidine-1-carbonyl)thiophen-2-yl]pyrrolidin-1-yl]methanone

cyclobutyl-[2-[5-(3,3-difluoropiperidine-1-carbonyl)thiophen-2-yl]pyrrolidin-1-yl]methanone (PubChem CID 45183183) has the molecular formula C19H24F2N2O2S and a molecular weight of 382.48 g/mol. Its IUPAC name is cyclobutyl-[2-[5-(3,3-difluoropiperidine-1-carbonyl)thiophen-2-yl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Namecyclobutyl-[2-[5-(3,3-difluoropiperidine-1-carbonyl)thiophen-2-yl]pyrrolidin-1-yl]methanone
PubChem CID45183183
Molecular FormulaC19H24F2N2O2S
Molecular Weight382.48 g/mol
Exact Mass382.15
IUPAC Namecyclobutyl-[2-[5-(3,3-difluoropiperidine-1-carbonyl)thiophen-2-yl]pyrrolidin-1-yl]methanone
SMILESO=C(c1ccc(C2CCCN2C(=O)C2CCC2)s1)N1CCCC(F)(F)C1
InChIInChI=1S/C19H24F2N2O2S/c20-19(21)9-3-10-22(12-19)18(25)16-8-7-15(26-16)14-6-2-11-23(14)17(24)13-4-1-5-13/h7-8,13-14H,1-6,9-12H2
InChIKeyFUYMNKVSFMSLEE-UHFFFAOYSA-N
XLogP4.08
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.48
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(2S)-1-(1-propan-2-ylpiperidine-4-carbonyl)pyrrolidin-2-yl]thiophene-2-carboxamide
CID 95120298
(E)-3-(1-methylpyrazol-4-yl)-1-[(2S)-2-[5-(pyrrolidine-1-carbonyl)thiophen-2-yl]pyrrolidin-1-yl]prop-2-en-1-one
CID 29150250
(6-amino-3-pyridinyl)-[2-[5-(morpholine-4-carbonyl)thiophen-2-yl]pyrrolidin-1-yl]methanone
CID 45214303
2-[(2R)-1-(cyclobutanecarbonyl)pyrrolidin-2-yl]-6-(5-methylthiophene-2-carbonyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136860991
(3,3-difluoropiperidin-1-yl)-[4,5-di(propan-2-yl)thiophen-2-yl]methanone
CID 155457670
(4-hydroxypiperidin-1-yl)-[5-[(2R)-1-(1-methylimidazole-2-carbonyl)pyrrolidin-2-yl]thiophen-2-yl]methanone
CID 31054211
(4-hydroxypiperidin-1-yl)-[5-[1-(1-methylimidazole-2-carbonyl)pyrrolidin-2-yl]thiophen-2-yl]methanone
CID 45218829
[5-(1-methylpyrrolidin-2-yl)thiophen-2-yl]-morpholin-4-ylmethanone;2,2,2-trifluoroacetic acid
CID 154891880
[5-[1-(1-methylimidazole-2-carbonyl)pyrrolidin-2-yl]thiophen-2-yl]-(1,4-oxazepan-4-yl)methanone
CID 45233811
[5-[1-(5-ethyl-1,3-oxazole-4-carbonyl)pyrrolidin-2-yl]thiophen-2-yl]-morpholin-4-ylmethanone
CID 45213659
1-[(2S)-2-[5-(morpholine-4-carbonyl)thiophen-2-yl]pyrrolidin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone
CID 31125619
N-methyl-5-[1-(2H-triazole-4-carbonyl)pyrrolidin-2-yl]thiophene-2-carboxamide
CID 56907734

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[2-[5-(3,3-difluoropiperidine-1-carbonyl)thiophen-2-yl]pyrrolidin-1-yl]methanone?
The IUPAC name of cyclobutyl-[2-[5-(3,3-difluoropiperidine-1-carbonyl)thiophen-2-yl]pyrrolidin-1-yl]methanone (CID 45183183) is cyclobutyl-[2-[5-(3,3-difluoropiperidine-1-carbonyl)thiophen-2-yl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for cyclobutyl-[2-[5-(3,3-difluoropiperidine-1-carbonyl)thiophen-2-yl]pyrrolidin-1-yl]methanone?
The canonical SMILES for cyclobutyl-[2-[5-(3,3-difluoropiperidine-1-carbonyl)thiophen-2-yl]pyrrolidin-1-yl]methanone is O=C(c1ccc(C2CCCN2C(=O)C2CCC2)s1)N1CCCC(F)(F)C1.
What is the InChIKey of cyclobutyl-[2-[5-(3,3-difluoropiperidine-1-carbonyl)thiophen-2-yl]pyrrolidin-1-yl]methanone?
The InChIKey is FUYMNKVSFMSLEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F2N2O2S/c20-19(21)9-3-10-22(12-19)18(25)16-8-7-15(26-16)14-6-2-11-23(14)17(24)13-4-1-5-13/h7-8,13-14H,1-6,9-12H2.
What are the key properties of cyclobutyl-[2-[5-(3,3-difluoropiperidine-1-carbonyl)thiophen-2-yl]pyrrolidin-1-yl]methanone?
cyclobutyl-[2-[5-(3,3-difluoropiperidine-1-carbonyl)thiophen-2-yl]pyrrolidin-1-yl]methanone has a molecular weight of 382.48 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[2-[5-(3,3-difluoropiperidine-1-carbonyl)thiophen-2-yl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 45183183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).