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

C15H18F2N2O2 — CID 110350822

IUPAC1-(3,4-difluorobenzoyl)-N,N-dimethylpiperidine-4-carboxamide
SMILESCN(C)C(=O)C1CCN(C(=O)c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C15H18F2N2O2/c1-18(2)14(20)10-5-7-19(8-6-10)15(21)11-3-4-12(16)13(17)9-11/h3-4,9-10H,5-8H2,1-2H3
InChIKeyBXBICHLNOCSBIT-UHFFFAOYSA-N
MW296.32 g/mol
LogP1.91
Rot. Bonds2

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

1-(3,4-difluorobenzoyl)-N,N-dimethylpiperidine-4-carboxamide (PubChem CID 110350822) has the molecular formula C15H18F2N2O2 and a molecular weight of 296.32 g/mol. Its IUPAC name is 1-(3,4-difluorobenzoyl)-N,N-dimethylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3,4-difluorobenzoyl)-N,N-dimethylpiperidine-4-carboxamide
PubChem CID110350822
Molecular FormulaC15H18F2N2O2
Molecular Weight296.32 g/mol
Exact Mass296.13
IUPAC Name1-(3,4-difluorobenzoyl)-N,N-dimethylpiperidine-4-carboxamide
SMILESCN(C)C(=O)C1CCN(C(=O)c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C15H18F2N2O2/c1-18(2)14(20)10-5-7-19(8-6-10)15(21)11-3-4-12(16)13(17)9-11/h3-4,9-10H,5-8H2,1-2H3
InChIKeyBXBICHLNOCSBIT-UHFFFAOYSA-N
XLogP1.91
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluoropyridine-4-carbonyl)-N,N-dimethylpiperidine-4-carboxamide
CID 61292738
1-(3,4-difluorobenzoyl)-N-ethylpiperidine-4-carboxamide
CID 110350917
N-cyclopropyl-1-(3,4-difluorobenzoyl)piperidine-4-carboxamide
CID 113002549
(3,4-difluorophenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 110749741
1-(2-chloropyridine-4-carbonyl)-N,N-dimethylpiperidine-4-carboxamide
CID 47124151
1-(3,4-difluorobenzoyl)-N-methyl-N-(1-methylpiperidin-4-yl)azetidine-3-carboxamide
CID 90513583
4-[1-(3,4-difluorobenzoyl)piperidine-4-carbonyl]piperazine-1-carbaldehyde
CID 113003785
methyl N-[1-(3,4-difluorobenzoyl)piperidin-4-yl]carbamate
CID 110821660
1-(5,6-dichloropyridine-3-carbonyl)-N,N-dimethylpiperidine-4-carboxamide
CID 60637345
(4-amino-3,3-dimethylpiperidin-1-yl)-(3,4-difluorophenyl)methanone;hydrochloride
CID 120814455
1-(3,4-difluorobenzoyl)-N,N-di(propan-2-yl)azetidine-3-carboxamide
CID 90513447
1-(2,4-dimethylbenzoyl)-N,N-dimethylpiperidine-4-carboxamide
CID 84546564

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorobenzoyl)-N,N-dimethylpiperidine-4-carboxamide?
The IUPAC name of 1-(3,4-difluorobenzoyl)-N,N-dimethylpiperidine-4-carboxamide (CID 110350822) is 1-(3,4-difluorobenzoyl)-N,N-dimethylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(3,4-difluorobenzoyl)-N,N-dimethylpiperidine-4-carboxamide?
The canonical SMILES for 1-(3,4-difluorobenzoyl)-N,N-dimethylpiperidine-4-carboxamide is CN(C)C(=O)C1CCN(C(=O)c2ccc(F)c(F)c2)CC1.
What is the InChIKey of 1-(3,4-difluorobenzoyl)-N,N-dimethylpiperidine-4-carboxamide?
The InChIKey is BXBICHLNOCSBIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N2O2/c1-18(2)14(20)10-5-7-19(8-6-10)15(21)11-3-4-12(16)13(17)9-11/h3-4,9-10H,5-8H2,1-2H3.
What are the key properties of 1-(3,4-difluorobenzoyl)-N,N-dimethylpiperidine-4-carboxamide?
1-(3,4-difluorobenzoyl)-N,N-dimethylpiperidine-4-carboxamide has a molecular weight of 296.32 g/mol, XLogP of 1.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorobenzoyl)-N,N-dimethylpiperidine-4-carboxamide is sourced from PubChem (CID 110350822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).