N-(3,4-difluorophenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide

C20H20F2N2O2 — CID 113008987

IUPACN-(3,4-difluorophenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide
SMILESCc1cccc(C(=O)N2CCC(C(=O)Nc3ccc(F)c(F)c3)CC2)c1
InChIInChI=1S/C20H20F2N2O2/c1-13-3-2-4-15(11-13)20(26)24-9-7-14(8-10-24)19(25)23-16-5-6-17(21)18(22)12-16/h2-6,11-12,14H,7-10H2,1H3,(H,23,25)
InChIKeyUHNOOFBKVJBTRS-UHFFFAOYSA-N
MW358.39 g/mol
LogP3.76
Rot. Bonds3

About N-(3,4-difluorophenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide

N-(3,4-difluorophenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide (PubChem CID 113008987) has the molecular formula C20H20F2N2O2 and a molecular weight of 358.39 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide
PubChem CID113008987
Molecular FormulaC20H20F2N2O2
Molecular Weight358.39 g/mol
Exact Mass358.15
IUPAC NameN-(3,4-difluorophenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide
SMILESCc1cccc(C(=O)N2CCC(C(=O)Nc3ccc(F)c(F)c3)CC2)c1
InChIInChI=1S/C20H20F2N2O2/c1-13-3-2-4-15(11-13)20(26)24-9-7-14(8-10-24)19(25)23-16-5-6-17(21)18(22)12-16/h2-6,11-12,14H,7-10H2,1H3,(H,23,25)
InChIKeyUHNOOFBKVJBTRS-UHFFFAOYSA-N
XLogP3.76
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-fluorophenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide
CID 113008221
N-(3,4-dimethylphenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide
CID 113006439
N-(4-ethylphenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide
CID 113006643
1-(4-fluorobenzoyl)-N-(3-methylphenyl)piperidine-4-carboxamide
CID 801213
N-(4-chloro-2-methylphenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide
CID 113007275
N-(3-chloro-4-methylphenyl)-1-(3-fluorobenzoyl)piperidine-4-carboxamide
CID 17223687
N-(2,6-dimethylphenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide
CID 113006519
1-(3,4-dimethylbenzoyl)-N-(3-methylphenyl)piperidine-4-carboxamide
CID 113006126
1-(3-chlorobenzoyl)-N-(4-chlorophenyl)piperidine-4-carboxamide
CID 113007193
N-(3,4-difluorophenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 31786532
1-(2,4-difluorobenzoyl)-N-(3,4-difluorophenyl)piperidine-4-carboxamide
CID 78803404
N-(4-chloro-2-methylphenyl)-1-(3,4-difluorobenzoyl)piperidine-4-carboxamide
CID 113007286

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide?
The IUPAC name of N-(3,4-difluorophenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide (CID 113008987) is N-(3,4-difluorophenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide?
The canonical SMILES for N-(3,4-difluorophenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide is Cc1cccc(C(=O)N2CCC(C(=O)Nc3ccc(F)c(F)c3)CC2)c1.
What is the InChIKey of N-(3,4-difluorophenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide?
The InChIKey is UHNOOFBKVJBTRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N2O2/c1-13-3-2-4-15(11-13)20(26)24-9-7-14(8-10-24)19(25)23-16-5-6-17(21)18(22)12-16/h2-6,11-12,14H,7-10H2,1H3,(H,23,25).
What are the key properties of N-(3,4-difluorophenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide?
N-(3,4-difluorophenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide has a molecular weight of 358.39 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide is sourced from PubChem (CID 113008987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).