N-[4-(3-fluorophenyl)phenyl]-1-(oxane-4-carbonyl)piperidine-3-carboxamide

C24H27FN2O3 — CID 45212597

IUPACN-[4-(3-fluorophenyl)phenyl]-1-(oxane-4-carbonyl)piperidine-3-carboxamide
SMILESO=C(Nc1ccc(-c2cccc(F)c2)cc1)C1CCCN(C(=O)C2CCOCC2)C1
InChIInChI=1S/C24H27FN2O3/c25-21-5-1-3-19(15-21)17-6-8-22(9-7-17)26-23(28)20-4-2-12-27(16-20)24(29)18-10-13-30-14-11-18/h1,3,5-9,15,18,20H,2,4,10-14,16H2,(H,26,28)
InChIKeyNLEQXRDBRUTWHA-UHFFFAOYSA-N
MW410.49 g/mol
LogP4.10
Rot. Bonds4

About N-[4-(3-fluorophenyl)phenyl]-1-(oxane-4-carbonyl)piperidine-3-carboxamide

N-[4-(3-fluorophenyl)phenyl]-1-(oxane-4-carbonyl)piperidine-3-carboxamide (PubChem CID 45212597) has the molecular formula C24H27FN2O3 and a molecular weight of 410.49 g/mol. Its IUPAC name is N-[4-(3-fluorophenyl)phenyl]-1-(oxane-4-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(3-fluorophenyl)phenyl]-1-(oxane-4-carbonyl)piperidine-3-carboxamide
PubChem CID45212597
Molecular FormulaC24H27FN2O3
Molecular Weight410.49 g/mol
Exact Mass410.20
IUPAC NameN-[4-(3-fluorophenyl)phenyl]-1-(oxane-4-carbonyl)piperidine-3-carboxamide
SMILESO=C(Nc1ccc(-c2cccc(F)c2)cc1)C1CCCN(C(=O)C2CCOCC2)C1
InChIInChI=1S/C24H27FN2O3/c25-21-5-1-3-19(15-21)17-6-8-22(9-7-17)26-23(28)20-4-2-12-27(16-20)24(29)18-10-13-30-14-11-18/h1,3,5-9,15,18,20H,2,4,10-14,16H2,(H,26,28)
InChIKeyNLEQXRDBRUTWHA-UHFFFAOYSA-N
XLogP4.10
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.49
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclopropanecarbonyl)-N-[4-(3-fluorophenyl)phenyl]piperidine-3-carboxamide
CID 45236502
(3S)-1-(cyclopentanecarbonyl)-N-[4-(3-fluorophenyl)phenyl]piperidine-3-carboxamide
CID 42567058
(3R)-N-[4-(3-methoxyphenyl)phenyl]-1-(oxane-4-carbonyl)piperidine-3-carboxamide
CID 26397760
N-[4-(3-fluorophenyl)phenyl]-1-(pyridine-4-carbonyl)piperidine-3-carboxamide
CID 45208634
(3S)-N-[4-(3-fluorophenyl)phenyl]-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-3-carboxamide
CID 26334195
N-[4-(3-fluorophenyl)phenyl]-1-(2-methylfuran-3-carbonyl)piperidine-3-carboxamide
CID 56700889
methyl 4-[(3S)-3-[[4-(3-fluorophenyl)phenyl]carbamoyl]piperidin-1-yl]-4-oxobutanoate
CID 26327809
(3R)-N-[4-(3-fluorophenyl)phenyl]-1-(2-pyridin-2-ylacetyl)piperidine-3-carboxamide
CID 42522383
N-[4-(3-fluorophenyl)phenyl]-1-[2-(1,2,4-triazol-4-yl)ethyl]piperidine-3-carboxamide
CID 72838343
(3R)-1-acetyl-N-[3-(4-fluorophenyl)phenyl]piperidine-3-carboxamide
CID 26396271
(3S)-1-acetyl-N-(3-fluorophenyl)piperidine-3-carboxamide
CID 9068167
(3R)-1-[5-(3-fluorophenyl)pyrimidin-2-yl]-N-phenylpiperidine-3-carboxamide
CID 95085728

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-fluorophenyl)phenyl]-1-(oxane-4-carbonyl)piperidine-3-carboxamide?
The IUPAC name of N-[4-(3-fluorophenyl)phenyl]-1-(oxane-4-carbonyl)piperidine-3-carboxamide (CID 45212597) is N-[4-(3-fluorophenyl)phenyl]-1-(oxane-4-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[4-(3-fluorophenyl)phenyl]-1-(oxane-4-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for N-[4-(3-fluorophenyl)phenyl]-1-(oxane-4-carbonyl)piperidine-3-carboxamide is O=C(Nc1ccc(-c2cccc(F)c2)cc1)C1CCCN(C(=O)C2CCOCC2)C1.
What is the InChIKey of N-[4-(3-fluorophenyl)phenyl]-1-(oxane-4-carbonyl)piperidine-3-carboxamide?
The InChIKey is NLEQXRDBRUTWHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN2O3/c25-21-5-1-3-19(15-21)17-6-8-22(9-7-17)26-23(28)20-4-2-12-27(16-20)24(29)18-10-13-30-14-11-18/h1,3,5-9,15,18,20H,2,4,10-14,16H2,(H,26,28).
What are the key properties of N-[4-(3-fluorophenyl)phenyl]-1-(oxane-4-carbonyl)piperidine-3-carboxamide?
N-[4-(3-fluorophenyl)phenyl]-1-(oxane-4-carbonyl)piperidine-3-carboxamide has a molecular weight of 410.49 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-fluorophenyl)phenyl]-1-(oxane-4-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 45212597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).