N-cyclopentyl-1-(3,4-difluorobenzoyl)piperidine-3-carboxamide

C18H22F2N2O2 — CID 50803880

IUPACN-cyclopentyl-1-(3,4-difluorobenzoyl)piperidine-3-carboxamide
SMILESO=C(NC1CCCC1)C1CCCN(C(=O)c2ccc(F)c(F)c2)C1
InChIInChI=1S/C18H22F2N2O2/c19-15-8-7-12(10-16(15)20)18(24)22-9-3-4-13(11-22)17(23)21-14-5-1-2-6-14/h7-8,10,13-14H,1-6,9,11H2,(H,21,23)
InChIKeyFFQSUJAXMLPYOH-UHFFFAOYSA-N
MW336.38 g/mol
LogP2.88
Rot. Bonds3

About N-cyclopentyl-1-(3,4-difluorobenzoyl)piperidine-3-carboxamide

N-cyclopentyl-1-(3,4-difluorobenzoyl)piperidine-3-carboxamide (PubChem CID 50803880) has the molecular formula C18H22F2N2O2 and a molecular weight of 336.38 g/mol. Its IUPAC name is N-cyclopentyl-1-(3,4-difluorobenzoyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-1-(3,4-difluorobenzoyl)piperidine-3-carboxamide
PubChem CID50803880
Molecular FormulaC18H22F2N2O2
Molecular Weight336.38 g/mol
Exact Mass336.16
IUPAC NameN-cyclopentyl-1-(3,4-difluorobenzoyl)piperidine-3-carboxamide
SMILESO=C(NC1CCCC1)C1CCCN(C(=O)c2ccc(F)c(F)c2)C1
InChIInChI=1S/C18H22F2N2O2/c19-15-8-7-12(10-16(15)20)18(24)22-9-3-4-13(11-22)17(23)21-14-5-1-2-6-14/h7-8,10,13-14H,1-6,9,11H2,(H,21,23)
InChIKeyFFQSUJAXMLPYOH-UHFFFAOYSA-N
XLogP2.88
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.38
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-1-(3,4-difluorobenzoyl)piperidine-3-carboxamide?
The IUPAC name of N-cyclopentyl-1-(3,4-difluorobenzoyl)piperidine-3-carboxamide (CID 50803880) is N-cyclopentyl-1-(3,4-difluorobenzoyl)piperidine-3-carboxamide.
What is the SMILES notation for N-cyclopentyl-1-(3,4-difluorobenzoyl)piperidine-3-carboxamide?
The canonical SMILES for N-cyclopentyl-1-(3,4-difluorobenzoyl)piperidine-3-carboxamide is O=C(NC1CCCC1)C1CCCN(C(=O)c2ccc(F)c(F)c2)C1.
What is the InChIKey of N-cyclopentyl-1-(3,4-difluorobenzoyl)piperidine-3-carboxamide?
The InChIKey is FFQSUJAXMLPYOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F2N2O2/c19-15-8-7-12(10-16(15)20)18(24)22-9-3-4-13(11-22)17(23)21-14-5-1-2-6-14/h7-8,10,13-14H,1-6,9,11H2,(H,21,23).
What are the key properties of N-cyclopentyl-1-(3,4-difluorobenzoyl)piperidine-3-carboxamide?
N-cyclopentyl-1-(3,4-difluorobenzoyl)piperidine-3-carboxamide has a molecular weight of 336.38 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1-(3,4-difluorobenzoyl)piperidine-3-carboxamide is sourced from PubChem (CID 50803880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).