1-(4-fluorobenzoyl)-N-(3-methylphenyl)piperidine-4-carboxamide

C20H21FN2O2 — CID 801213

IUPAC1-(4-fluorobenzoyl)-N-(3-methylphenyl)piperidine-4-carboxamide
SMILESCc1cccc(NC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C20H21FN2O2/c1-14-3-2-4-18(13-14)22-19(24)15-9-11-23(12-10-15)20(25)16-5-7-17(21)8-6-16/h2-8,13,15H,9-12H2,1H3,(H,22,24)
InChIKeyUNLGVOZWILVAHQ-UHFFFAOYSA-N
MW340.40 g/mol
LogP3.63
Rot. Bonds3

About 1-(4-fluorobenzoyl)-N-(3-methylphenyl)piperidine-4-carboxamide

1-(4-fluorobenzoyl)-N-(3-methylphenyl)piperidine-4-carboxamide (PubChem CID 801213) has the molecular formula C20H21FN2O2 and a molecular weight of 340.40 g/mol. Its IUPAC name is 1-(4-fluorobenzoyl)-N-(3-methylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorobenzoyl)-N-(3-methylphenyl)piperidine-4-carboxamide
PubChem CID801213
Molecular FormulaC20H21FN2O2
Molecular Weight340.40 g/mol
Exact Mass340.16
IUPAC Name1-(4-fluorobenzoyl)-N-(3-methylphenyl)piperidine-4-carboxamide
SMILESCc1cccc(NC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C20H21FN2O2/c1-14-3-2-4-18(13-14)22-19(24)15-9-11-23(12-10-15)20(25)16-5-7-17(21)8-6-16/h2-8,13,15H,9-12H2,1H3,(H,22,24)
InChIKeyUNLGVOZWILVAHQ-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-(cyclopropanecarbonylamino)phenyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 38324789
N-(3-fluorophenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide
CID 113008221
1-(3,4-dimethylbenzoyl)-N-(3-methylphenyl)piperidine-4-carboxamide
CID 113006126
1-(4-fluorobenzoyl)-N-(3-phenoxyphenyl)piperidine-4-carboxamide
CID 9268659
1-benzoyl-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 110298375
N-(3,4-difluorophenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide
CID 113008987
1-(2,6-dimethoxybenzoyl)-N-(3-methylphenyl)piperidine-4-carboxamide
CID 113006125
1-N,4-N-bis(3-methylphenyl)piperidine-1,4-dicarboxamide
CID 3222755
1-(4-fluorobenzoyl)-N-[3-(thiophene-2-carbonylamino)phenyl]piperidine-4-carboxamide
CID 46513393
1-(4-fluorophenyl)sulfonyl-N-(3-methylphenyl)piperidine-4-carboxamide
CID 1078408
N-(3,4-dimethylphenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide
CID 113006439
3-[(1-benzoylpiperidine-4-carbonyl)amino]benzoic acid
CID 119219598

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorobenzoyl)-N-(3-methylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(4-fluorobenzoyl)-N-(3-methylphenyl)piperidine-4-carboxamide (CID 801213) is 1-(4-fluorobenzoyl)-N-(3-methylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-fluorobenzoyl)-N-(3-methylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4-fluorobenzoyl)-N-(3-methylphenyl)piperidine-4-carboxamide is Cc1cccc(NC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)c1.
What is the InChIKey of 1-(4-fluorobenzoyl)-N-(3-methylphenyl)piperidine-4-carboxamide?
The InChIKey is UNLGVOZWILVAHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O2/c1-14-3-2-4-18(13-14)22-19(24)15-9-11-23(12-10-15)20(25)16-5-7-17(21)8-6-16/h2-8,13,15H,9-12H2,1H3,(H,22,24).
What are the key properties of 1-(4-fluorobenzoyl)-N-(3-methylphenyl)piperidine-4-carboxamide?
1-(4-fluorobenzoyl)-N-(3-methylphenyl)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 1-(4-fluorobenzoyl)-N-(3-methylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 801213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).