1-(2,5-difluorobenzoyl)-N-phenylpiperidine-4-carboxamide

C19H18F2N2O2 — CID 46808218

IUPAC1-(2,5-difluorobenzoyl)-N-phenylpiperidine-4-carboxamide
SMILESO=C(Nc1ccccc1)C1CCN(C(=O)c2cc(F)ccc2F)CC1
InChIInChI=1S/C19H18F2N2O2/c20-14-6-7-17(21)16(12-14)19(25)23-10-8-13(9-11-23)18(24)22-15-4-2-1-3-5-15/h1-7,12-13H,8-11H2,(H,22,24)
InChIKeyZVUPBIKONNEOJW-UHFFFAOYSA-N
MW344.36 g/mol
LogP3.46
Rot. Bonds3

About 1-(2,5-difluorobenzoyl)-N-phenylpiperidine-4-carboxamide

1-(2,5-difluorobenzoyl)-N-phenylpiperidine-4-carboxamide (PubChem CID 46808218) has the molecular formula C19H18F2N2O2 and a molecular weight of 344.36 g/mol. Its IUPAC name is 1-(2,5-difluorobenzoyl)-N-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,5-difluorobenzoyl)-N-phenylpiperidine-4-carboxamide
PubChem CID46808218
Molecular FormulaC19H18F2N2O2
Molecular Weight344.36 g/mol
Exact Mass344.13
IUPAC Name1-(2,5-difluorobenzoyl)-N-phenylpiperidine-4-carboxamide
SMILESO=C(Nc1ccccc1)C1CCN(C(=O)c2cc(F)ccc2F)CC1
InChIInChI=1S/C19H18F2N2O2/c20-14-6-7-17(21)16(12-14)19(25)23-10-8-13(9-11-23)18(24)22-15-4-2-1-3-5-15/h1-7,12-13H,8-11H2,(H,22,24)
InChIKeyZVUPBIKONNEOJW-UHFFFAOYSA-N
XLogP3.46
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.36
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluorobenzoyl)-N-phenylpiperidine-4-carboxamide
CID 17223576
N-(2-anilinophenyl)-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide
CID 112772245
1-(2,4-difluorobenzoyl)-N-(3,4-difluorophenyl)piperidine-4-carboxamide
CID 78803404
1-benzoyl-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 110298375
1-(2-aminobenzoyl)-N-(4-fluorophenyl)piperidine-4-carboxamide
CID 119945231
N-(3-fluorophenyl)-1-(2-methylbenzoyl)piperidine-4-carboxamide
CID 802933
1-(2-fluorobenzoyl)-N-(3-methoxyphenyl)piperidine-4-carboxamide
CID 17019052
1-(2-chlorobenzoyl)-N-(3,5-difluorophenyl)piperidine-4-carboxamide
CID 17223520
N-[3-(cyclopropanecarbonylamino)phenyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 38324789
1-(cyclopropanecarbonyl)-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 26086523
1-(2-fluorobenzoyl)-N-(2-fluorophenyl)piperidine-4-carboxamide
CID 17019008
N-(2-aminophenyl)-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide;hydrochloride
CID 119422265

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorobenzoyl)-N-phenylpiperidine-4-carboxamide?
The IUPAC name of 1-(2,5-difluorobenzoyl)-N-phenylpiperidine-4-carboxamide (CID 46808218) is 1-(2,5-difluorobenzoyl)-N-phenylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(2,5-difluorobenzoyl)-N-phenylpiperidine-4-carboxamide?
The canonical SMILES for 1-(2,5-difluorobenzoyl)-N-phenylpiperidine-4-carboxamide is O=C(Nc1ccccc1)C1CCN(C(=O)c2cc(F)ccc2F)CC1.
What is the InChIKey of 1-(2,5-difluorobenzoyl)-N-phenylpiperidine-4-carboxamide?
The InChIKey is ZVUPBIKONNEOJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N2O2/c20-14-6-7-17(21)16(12-14)19(25)23-10-8-13(9-11-23)18(24)22-15-4-2-1-3-5-15/h1-7,12-13H,8-11H2,(H,22,24).
What are the key properties of 1-(2,5-difluorobenzoyl)-N-phenylpiperidine-4-carboxamide?
1-(2,5-difluorobenzoyl)-N-phenylpiperidine-4-carboxamide has a molecular weight of 344.36 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorobenzoyl)-N-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 46808218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).