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

C20H21FN2O2 — CID 113008221

IUPACN-(3-fluorophenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide
SMILESCc1cccc(C(=O)N2CCC(C(=O)Nc3cccc(F)c3)CC2)c1
InChIInChI=1S/C20H21FN2O2/c1-14-4-2-5-16(12-14)20(25)23-10-8-15(9-11-23)19(24)22-18-7-3-6-17(21)13-18/h2-7,12-13,15H,8-11H2,1H3,(H,22,24)
InChIKeyVCBGDMRZXCWAFG-UHFFFAOYSA-N
MW340.40 g/mol
LogP3.63
Rot. Bonds3

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

N-(3-fluorophenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide (PubChem CID 113008221) has the molecular formula C20H21FN2O2 and a molecular weight of 340.40 g/mol. Its IUPAC name is N-(3-fluorophenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide
PubChem CID113008221
Molecular FormulaC20H21FN2O2
Molecular Weight340.40 g/mol
Exact Mass340.16
IUPAC NameN-(3-fluorophenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide
SMILESCc1cccc(C(=O)N2CCC(C(=O)Nc3cccc(F)c3)CC2)c1
InChIInChI=1S/C20H21FN2O2/c1-14-4-2-5-16(12-14)20(25)23-10-8-15(9-11-23)19(24)22-18-7-3-6-17(21)13-18/h2-7,12-13,15H,8-11H2,1H3,(H,22,24)
InChIKeyVCBGDMRZXCWAFG-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

1-benzoyl-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 110298375
N-(3,4-difluorophenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide
CID 113008987
1-(4-fluorobenzoyl)-N-(3-methylphenyl)piperidine-4-carboxamide
CID 801213
(3R)-N-(3-fluorophenyl)-1-(3-methylbenzoyl)piperidine-3-carboxamide
CID 94082579
1-(3-fluorobenzoyl)-N-phenylpiperidine-4-carboxamide
CID 17223576
N-(3,4-dimethylphenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide
CID 113006439
N-(3-chloro-4-methylphenyl)-1-(3-fluorobenzoyl)piperidine-4-carboxamide
CID 17223687
1-(3,4-dichlorobenzoyl)-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 113008225
N-(4-ethylphenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide
CID 113006643
1-(3,4-dimethylbenzoyl)-N-(3-methylphenyl)piperidine-4-carboxamide
CID 113006126
N-(3-fluorophenyl)-1-(2-methylbenzoyl)piperidine-4-carboxamide
CID 802933
N-(2,6-dimethylphenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide
CID 113006519

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide?
The IUPAC name of N-(3-fluorophenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide (CID 113008221) is N-(3-fluorophenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(3-fluorophenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide?
The canonical SMILES for N-(3-fluorophenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide is Cc1cccc(C(=O)N2CCC(C(=O)Nc3cccc(F)c3)CC2)c1.
What is the InChIKey of N-(3-fluorophenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide?
The InChIKey is VCBGDMRZXCWAFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O2/c1-14-4-2-5-16(12-14)20(25)23-10-8-15(9-11-23)19(24)22-18-7-3-6-17(21)13-18/h2-7,12-13,15H,8-11H2,1H3,(H,22,24).
What are the key properties of N-(3-fluorophenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide?
N-(3-fluorophenyl)-1-(3-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-(3-methylbenzoyl)piperidine-4-carboxamide is sourced from PubChem (CID 113008221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).