1-benzoyl-N-[1-(4-fluorophenyl)piperidin-4-yl]-N-methylpiperidine-3-carboxamide

C25H30FN3O2 — CID 86901383

IUPAC1-benzoyl-N-[1-(4-fluorophenyl)piperidin-4-yl]-N-methylpiperidine-3-carboxamide
SMILESCN(C(=O)C1CCCN(C(=O)c2ccccc2)C1)C1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C25H30FN3O2/c1-27(22-13-16-28(17-14-22)23-11-9-21(26)10-12-23)24(30)20-8-5-15-29(18-20)25(31)19-6-3-2-4-7-19/h2-4,6-7,9-12,20,22H,5,8,13-18H2,1H3
InChIKeyNLLMVHZVGZPKQC-UHFFFAOYSA-N
MW423.53 g/mol
LogP3.81
Rot. Bonds4

About 1-benzoyl-N-[1-(4-fluorophenyl)piperidin-4-yl]-N-methylpiperidine-3-carboxamide

1-benzoyl-N-[1-(4-fluorophenyl)piperidin-4-yl]-N-methylpiperidine-3-carboxamide (PubChem CID 86901383) has the molecular formula C25H30FN3O2 and a molecular weight of 423.53 g/mol. Its IUPAC name is 1-benzoyl-N-[1-(4-fluorophenyl)piperidin-4-yl]-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-benzoyl-N-[1-(4-fluorophenyl)piperidin-4-yl]-N-methylpiperidine-3-carboxamide
PubChem CID86901383
Molecular FormulaC25H30FN3O2
Molecular Weight423.53 g/mol
Exact Mass423.23
IUPAC Name1-benzoyl-N-[1-(4-fluorophenyl)piperidin-4-yl]-N-methylpiperidine-3-carboxamide
SMILESCN(C(=O)C1CCCN(C(=O)c2ccccc2)C1)C1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C25H30FN3O2/c1-27(22-13-16-28(17-14-22)23-11-9-21(26)10-12-23)24(30)20-8-5-15-29(18-20)25(31)19-6-3-2-4-7-19/h2-4,6-7,9-12,20,22H,5,8,13-18H2,1H3
InChIKeyNLLMVHZVGZPKQC-UHFFFAOYSA-N
XLogP3.81
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.53
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-cycloheptyl-1-[2-(4-fluorophenyl)acetyl]-N-methylpiperidine-3-carboxamide
CID 55758241
[4-(dimethylamino)phenyl]-[(3S)-3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methanone
CID 25288503
1-(4-fluorobenzoyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]piperidine-3-carboxamide
CID 46403336
1-benzoyl-N-[(2-hydroxycyclopentyl)methyl]-N-methylpiperidine-3-carboxamide
CID 109399792
[(3R)-1-(4-fluorobenzoyl)piperidin-3-yl]-piperidin-1-ylmethanone
CID 936701
(3S)-1-(4-fluorobenzoyl)-N-methyl-N-(1H-pyrrol-2-ylmethyl)piperidine-3-carboxamide
CID 124507921
1-(4-fluorobenzoyl)-N-[(4-pyrrolidin-1-ylphenyl)methyl]piperidine-3-carboxamide
CID 55657080
(3S)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 68704612
N-cycloheptyl-N-methyl-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 55607775
1-benzoylpiperidine-3-carbonyl chloride
CID 15718173
1-(4-fluorobenzoyl)-N-methylpiperidine-3-carboxamide
CID 47128312
[5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-[(3S)-1-benzoylpiperidin-3-yl]methanone
CID 92573997

Frequently Asked Questions

What is the IUPAC name of 1-benzoyl-N-[1-(4-fluorophenyl)piperidin-4-yl]-N-methylpiperidine-3-carboxamide?
The IUPAC name of 1-benzoyl-N-[1-(4-fluorophenyl)piperidin-4-yl]-N-methylpiperidine-3-carboxamide (CID 86901383) is 1-benzoyl-N-[1-(4-fluorophenyl)piperidin-4-yl]-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-benzoyl-N-[1-(4-fluorophenyl)piperidin-4-yl]-N-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-benzoyl-N-[1-(4-fluorophenyl)piperidin-4-yl]-N-methylpiperidine-3-carboxamide is CN(C(=O)C1CCCN(C(=O)c2ccccc2)C1)C1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 1-benzoyl-N-[1-(4-fluorophenyl)piperidin-4-yl]-N-methylpiperidine-3-carboxamide?
The InChIKey is NLLMVHZVGZPKQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30FN3O2/c1-27(22-13-16-28(17-14-22)23-11-9-21(26)10-12-23)24(30)20-8-5-15-29(18-20)25(31)19-6-3-2-4-7-19/h2-4,6-7,9-12,20,22H,5,8,13-18H2,1H3.
What are the key properties of 1-benzoyl-N-[1-(4-fluorophenyl)piperidin-4-yl]-N-methylpiperidine-3-carboxamide?
1-benzoyl-N-[1-(4-fluorophenyl)piperidin-4-yl]-N-methylpiperidine-3-carboxamide has a molecular weight of 423.53 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoyl-N-[1-(4-fluorophenyl)piperidin-4-yl]-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 86901383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).