4-fluoro-N-[1-(3-methylbutyl)piperidin-4-yl]-N-phenylbenzamide

C23H29FN2O — CID 42858014

IUPAC4-fluoro-N-[1-(3-methylbutyl)piperidin-4-yl]-N-phenylbenzamide
SMILESCC(C)CCN1CCC(N(C(=O)c2ccc(F)cc2)c2ccccc2)CC1
InChIInChI=1S/C23H29FN2O/c1-18(2)12-15-25-16-13-22(14-17-25)26(21-6-4-3-5-7-21)23(27)19-8-10-20(24)11-9-19/h3-11,18,22H,12-17H2,1-2H3
InChIKeyQSOKOEAMIAOMKJ-UHFFFAOYSA-N
MW368.50 g/mol
LogP4.98
Rot. Bonds6

About 4-fluoro-N-[1-(3-methylbutyl)piperidin-4-yl]-N-phenylbenzamide

4-fluoro-N-[1-(3-methylbutyl)piperidin-4-yl]-N-phenylbenzamide (PubChem CID 42858014) has the molecular formula C23H29FN2O and a molecular weight of 368.50 g/mol. Its IUPAC name is 4-fluoro-N-[1-(3-methylbutyl)piperidin-4-yl]-N-phenylbenzamide.

Molecular Properties

Compound Name4-fluoro-N-[1-(3-methylbutyl)piperidin-4-yl]-N-phenylbenzamide
PubChem CID42858014
Molecular FormulaC23H29FN2O
Molecular Weight368.50 g/mol
Exact Mass368.23
IUPAC Name4-fluoro-N-[1-(3-methylbutyl)piperidin-4-yl]-N-phenylbenzamide
SMILESCC(C)CCN1CCC(N(C(=O)c2ccc(F)cc2)c2ccccc2)CC1
InChIInChI=1S/C23H29FN2O/c1-18(2)12-15-25-16-13-22(14-17-25)26(21-6-4-3-5-7-21)23(27)19-8-10-20(24)11-9-19/h3-11,18,22H,12-17H2,1-2H3
InChIKeyQSOKOEAMIAOMKJ-UHFFFAOYSA-N
XLogP4.98
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-fluorophenyl)-N-[1-(2-methylpropyl)piperidin-4-yl]benzamide
CID 42858072
N-(4-fluorophenyl)-N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]benzamide
CID 46048008
N-[1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-yl]-4-fluoro-N-phenylbenzamide
CID 46054236
N-(4-ethylphenyl)-4-fluoro-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]benzamide
CID 46052023
N-(4-fluorophenyl)-N-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide
CID 46055052
N,4-dimethyl-N-[1-(3-methylbutyl)piperidin-4-yl]benzamide
CID 143233555
N-(4-fluorophenyl)-N-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-4-methoxybenzamide
CID 46047973
N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-N-phenylbenzamide
CID 46047940
N-(4-fluorophenyl)-4-methoxy-N-[1-[(4-propan-2-ylphenyl)methyl]piperidin-4-yl]benzamide
CID 46054333
2-fluoro-N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 11631733
N-(4-ethylphenyl)-N-[1-(3-methylbutyl)piperidin-4-yl]propanamide
CID 42858289
N-[1-[[4-(dimethylamino)phenyl]methyl]piperidin-4-yl]-4-methyl-N-phenylbenzamide
CID 46054292

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[1-(3-methylbutyl)piperidin-4-yl]-N-phenylbenzamide?
The IUPAC name of 4-fluoro-N-[1-(3-methylbutyl)piperidin-4-yl]-N-phenylbenzamide (CID 42858014) is 4-fluoro-N-[1-(3-methylbutyl)piperidin-4-yl]-N-phenylbenzamide.
What is the SMILES notation for 4-fluoro-N-[1-(3-methylbutyl)piperidin-4-yl]-N-phenylbenzamide?
The canonical SMILES for 4-fluoro-N-[1-(3-methylbutyl)piperidin-4-yl]-N-phenylbenzamide is CC(C)CCN1CCC(N(C(=O)c2ccc(F)cc2)c2ccccc2)CC1.
What is the InChIKey of 4-fluoro-N-[1-(3-methylbutyl)piperidin-4-yl]-N-phenylbenzamide?
The InChIKey is QSOKOEAMIAOMKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN2O/c1-18(2)12-15-25-16-13-22(14-17-25)26(21-6-4-3-5-7-21)23(27)19-8-10-20(24)11-9-19/h3-11,18,22H,12-17H2,1-2H3.
What are the key properties of 4-fluoro-N-[1-(3-methylbutyl)piperidin-4-yl]-N-phenylbenzamide?
4-fluoro-N-[1-(3-methylbutyl)piperidin-4-yl]-N-phenylbenzamide has a molecular weight of 368.50 g/mol, XLogP of 4.98, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[1-(3-methylbutyl)piperidin-4-yl]-N-phenylbenzamide is sourced from PubChem (CID 42858014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).