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

C25H23FN2O3 — CID 9268659

IUPAC1-(4-fluorobenzoyl)-N-(3-phenoxyphenyl)piperidine-4-carboxamide
SMILESO=C(Nc1cccc(Oc2ccccc2)c1)C1CCN(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C25H23FN2O3/c26-20-11-9-19(10-12-20)25(30)28-15-13-18(14-16-28)24(29)27-21-5-4-8-23(17-21)31-22-6-2-1-3-7-22/h1-12,17-18H,13-16H2,(H,27,29)
InChIKeyHGEZURYNXZKSFH-UHFFFAOYSA-N
MW418.47 g/mol
LogP5.11
Rot. Bonds5

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

1-(4-fluorobenzoyl)-N-(3-phenoxyphenyl)piperidine-4-carboxamide (PubChem CID 9268659) has the molecular formula C25H23FN2O3 and a molecular weight of 418.47 g/mol. Its IUPAC name is 1-(4-fluorobenzoyl)-N-(3-phenoxyphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorobenzoyl)-N-(3-phenoxyphenyl)piperidine-4-carboxamide
PubChem CID9268659
Molecular FormulaC25H23FN2O3
Molecular Weight418.47 g/mol
Exact Mass418.17
IUPAC Name1-(4-fluorobenzoyl)-N-(3-phenoxyphenyl)piperidine-4-carboxamide
SMILESO=C(Nc1cccc(Oc2ccccc2)c1)C1CCN(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C25H23FN2O3/c26-20-11-9-19(10-12-20)25(30)28-15-13-18(14-16-28)24(29)27-21-5-4-8-23(17-21)31-22-6-2-1-3-7-22/h1-12,17-18H,13-16H2,(H,27,29)
InChIKeyHGEZURYNXZKSFH-UHFFFAOYSA-N
XLogP5.11
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.47
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(cyclopropanecarbonylamino)phenyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 38324789
1-benzoyl-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 110298375
1-(4-fluorobenzoyl)-N-(3-methylphenyl)piperidine-4-carboxamide
CID 801213
1-[4-(4-carbamoylphenoxy)benzoyl]-N-phenylpiperidine-4-carboxamide
CID 56545504
2-[3-[(1-benzoylpiperidine-4-carbonyl)amino]phenoxy]acetic acid
CID 119224819
3-[(1-benzoylpiperidine-4-carbonyl)amino]benzoic acid
CID 119219598
1-(3-fluorobenzoyl)-N-phenylpiperidine-4-carboxamide
CID 17223576
1-(1-benzoylpiperidin-4-yl)-N-(4-fluorophenyl)piperidine-4-carboxamide
CID 42693290
1-[4-(4-fluorophenoxy)benzoyl]piperidine-4-carboxylic acid
CID 45341289
1-(4-fluorobenzoyl)-N-[3-(thiophene-2-carbonylamino)phenyl]piperidine-4-carboxamide
CID 46513393
1-(3,4-dimethylbenzoyl)-N-(3-methoxyphenyl)piperidine-4-carboxamide
CID 113007461
1-(2-fluorobenzoyl)-N-(3-methoxyphenyl)piperidine-4-carboxamide
CID 17019052

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorobenzoyl)-N-(3-phenoxyphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(4-fluorobenzoyl)-N-(3-phenoxyphenyl)piperidine-4-carboxamide (CID 9268659) is 1-(4-fluorobenzoyl)-N-(3-phenoxyphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-fluorobenzoyl)-N-(3-phenoxyphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4-fluorobenzoyl)-N-(3-phenoxyphenyl)piperidine-4-carboxamide is O=C(Nc1cccc(Oc2ccccc2)c1)C1CCN(C(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of 1-(4-fluorobenzoyl)-N-(3-phenoxyphenyl)piperidine-4-carboxamide?
The InChIKey is HGEZURYNXZKSFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN2O3/c26-20-11-9-19(10-12-20)25(30)28-15-13-18(14-16-28)24(29)27-21-5-4-8-23(17-21)31-22-6-2-1-3-7-22/h1-12,17-18H,13-16H2,(H,27,29).
What are the key properties of 1-(4-fluorobenzoyl)-N-(3-phenoxyphenyl)piperidine-4-carboxamide?
1-(4-fluorobenzoyl)-N-(3-phenoxyphenyl)piperidine-4-carboxamide has a molecular weight of 418.47 g/mol, XLogP of 5.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorobenzoyl)-N-(3-phenoxyphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 9268659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).