1-(3,4-difluorobenzoyl)-N-ethylpiperidine-4-carboxamide

C15H18F2N2O2 — CID 110350917

IUPAC1-(3,4-difluorobenzoyl)-N-ethylpiperidine-4-carboxamide
SMILESCCNC(=O)C1CCN(C(=O)c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C15H18F2N2O2/c1-2-18-14(20)10-5-7-19(8-6-10)15(21)11-3-4-12(16)13(17)9-11/h3-4,9-10H,2,5-8H2,1H3,(H,18,20)
InChIKeyXLAFQVBSHSUVOU-UHFFFAOYSA-N
MW296.32 g/mol
LogP1.95
Rot. Bonds3

About 1-(3,4-difluorobenzoyl)-N-ethylpiperidine-4-carboxamide

1-(3,4-difluorobenzoyl)-N-ethylpiperidine-4-carboxamide (PubChem CID 110350917) has the molecular formula C15H18F2N2O2 and a molecular weight of 296.32 g/mol. Its IUPAC name is 1-(3,4-difluorobenzoyl)-N-ethylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3,4-difluorobenzoyl)-N-ethylpiperidine-4-carboxamide
PubChem CID110350917
Molecular FormulaC15H18F2N2O2
Molecular Weight296.32 g/mol
Exact Mass296.13
IUPAC Name1-(3,4-difluorobenzoyl)-N-ethylpiperidine-4-carboxamide
SMILESCCNC(=O)C1CCN(C(=O)c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C15H18F2N2O2/c1-2-18-14(20)10-5-7-19(8-6-10)15(21)11-3-4-12(16)13(17)9-11/h3-4,9-10H,2,5-8H2,1H3,(H,18,20)
InChIKeyXLAFQVBSHSUVOU-UHFFFAOYSA-N
XLogP1.95
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-difluorobenzoyl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 113004061
N-ethyl-1-(2-fluoropyridine-4-carbonyl)piperidine-4-carboxamide
CID 61294389
N-cyclopropyl-1-(3,4-difluorobenzoyl)piperidine-4-carboxamide
CID 113002549
1-(4-aminobenzoyl)-N-ethylpiperidine-4-carboxamide
CID 60963126
N-ethyl-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 51309590
1-[4-(cyclopropanecarbonylamino)benzoyl]-N-ethylpiperidine-4-carboxamide
CID 32994989
1-(3,4-difluorobenzoyl)-N,N-dimethylpiperidine-4-carboxamide
CID 110350822
N-(4-chloro-2-methylphenyl)-1-(3,4-difluorobenzoyl)piperidine-4-carboxamide
CID 113007286
(3,4-difluorophenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 110749741
1-(3,4-difluorobenzoyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 20973358
1-[2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]acetyl]piperidine-4-carboxamide
CID 78857490
methyl N-[1-(3,4-difluorobenzoyl)piperidin-4-yl]carbamate
CID 110821660

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorobenzoyl)-N-ethylpiperidine-4-carboxamide?
The IUPAC name of 1-(3,4-difluorobenzoyl)-N-ethylpiperidine-4-carboxamide (CID 110350917) is 1-(3,4-difluorobenzoyl)-N-ethylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(3,4-difluorobenzoyl)-N-ethylpiperidine-4-carboxamide?
The canonical SMILES for 1-(3,4-difluorobenzoyl)-N-ethylpiperidine-4-carboxamide is CCNC(=O)C1CCN(C(=O)c2ccc(F)c(F)c2)CC1.
What is the InChIKey of 1-(3,4-difluorobenzoyl)-N-ethylpiperidine-4-carboxamide?
The InChIKey is XLAFQVBSHSUVOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N2O2/c1-2-18-14(20)10-5-7-19(8-6-10)15(21)11-3-4-12(16)13(17)9-11/h3-4,9-10H,2,5-8H2,1H3,(H,18,20).
What are the key properties of 1-(3,4-difluorobenzoyl)-N-ethylpiperidine-4-carboxamide?
1-(3,4-difluorobenzoyl)-N-ethylpiperidine-4-carboxamide has a molecular weight of 296.32 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorobenzoyl)-N-ethylpiperidine-4-carboxamide is sourced from PubChem (CID 110350917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).