N-(3-fluorophenyl)-1-(2-methylbenzoyl)piperidine-4-carboxamide

C20H21FN2O2 — CID 802933

IUPACN-(3-fluorophenyl)-1-(2-methylbenzoyl)piperidine-4-carboxamide
SMILESCc1ccccc1C(=O)N1CCC(C(=O)Nc2cccc(F)c2)CC1
InChIInChI=1S/C20H21FN2O2/c1-14-5-2-3-8-18(14)20(25)23-11-9-15(10-12-23)19(24)22-17-7-4-6-16(21)13-17/h2-8,13,15H,9-12H2,1H3,(H,22,24)
InChIKeyKLULIRLWUKLNFL-UHFFFAOYSA-N
MW340.40 g/mol
LogP3.63
Rot. Bonds3

About N-(3-fluorophenyl)-1-(2-methylbenzoyl)piperidine-4-carboxamide

N-(3-fluorophenyl)-1-(2-methylbenzoyl)piperidine-4-carboxamide (PubChem CID 802933) has the molecular formula C20H21FN2O2 and a molecular weight of 340.40 g/mol. Its IUPAC name is N-(3-fluorophenyl)-1-(2-methylbenzoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-1-(2-methylbenzoyl)piperidine-4-carboxamide
PubChem CID802933
Molecular FormulaC20H21FN2O2
Molecular Weight340.40 g/mol
Exact Mass340.16
IUPAC NameN-(3-fluorophenyl)-1-(2-methylbenzoyl)piperidine-4-carboxamide
SMILESCc1ccccc1C(=O)N1CCC(C(=O)Nc2cccc(F)c2)CC1
InChIInChI=1S/C20H21FN2O2/c1-14-5-2-3-8-18(14)20(25)23-11-9-15(10-12-23)19(24)22-17-7-4-6-16(21)13-17/h2-8,13,15H,9-12H2,1H3,(H,22,24)
InChIKeyKLULIRLWUKLNFL-UHFFFAOYSA-N
XLogP3.63
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chlorophenyl)-1-(2-methylbenzoyl)piperidine-4-carboxamide
CID 4612076
1-benzoyl-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 110298375
N-(3-fluorophenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide
CID 113008221
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-methylbenzoyl)piperidine-4-carboxamide
CID 1072840
1-(4-ethylnaphthalene-1-carbonyl)-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 162196893
1-(cyclopropanecarbonyl)-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 26086523
1-(2-chlorobenzoyl)-N-(3,5-difluorophenyl)piperidine-4-carboxamide
CID 17223520
1-(3-fluorobenzoyl)-N-phenylpiperidine-4-carboxamide
CID 17223576
N-(2,6-dimethylphenyl)-1-(2-fluorobenzoyl)piperidine-4-carboxamide
CID 17019038
1-(2,5-difluorobenzoyl)-N-phenylpiperidine-4-carboxamide
CID 46808218
1-(2-fluorobenzoyl)-N-(3-methoxyphenyl)piperidine-4-carboxamide
CID 17019052
N-(3-chloro-4-methylphenyl)-1-(3-fluorobenzoyl)piperidine-4-carboxamide
CID 17223687

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-1-(2-methylbenzoyl)piperidine-4-carboxamide?
The IUPAC name of N-(3-fluorophenyl)-1-(2-methylbenzoyl)piperidine-4-carboxamide (CID 802933) is N-(3-fluorophenyl)-1-(2-methylbenzoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(3-fluorophenyl)-1-(2-methylbenzoyl)piperidine-4-carboxamide?
The canonical SMILES for N-(3-fluorophenyl)-1-(2-methylbenzoyl)piperidine-4-carboxamide is Cc1ccccc1C(=O)N1CCC(C(=O)Nc2cccc(F)c2)CC1.
What is the InChIKey of N-(3-fluorophenyl)-1-(2-methylbenzoyl)piperidine-4-carboxamide?
The InChIKey is KLULIRLWUKLNFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O2/c1-14-5-2-3-8-18(14)20(25)23-11-9-15(10-12-23)19(24)22-17-7-4-6-16(21)13-17/h2-8,13,15H,9-12H2,1H3,(H,22,24).
What are the key properties of N-(3-fluorophenyl)-1-(2-methylbenzoyl)piperidine-4-carboxamide?
N-(3-fluorophenyl)-1-(2-methylbenzoyl)piperidine-4-carboxamide has a molecular weight of 340.40 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-1-(2-methylbenzoyl)piperidine-4-carboxamide is sourced from PubChem (CID 802933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).