4-fluoro-N-[1-(3-phenylpropyl)piperidin-4-yl]benzamide

C21H25FN2O — CID 34799426

IUPAC4-fluoro-N-[1-(3-phenylpropyl)piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(CCCc2ccccc2)CC1)c1ccc(F)cc1
InChIInChI=1S/C21H25FN2O/c22-19-10-8-18(9-11-19)21(25)23-20-12-15-24(16-13-20)14-4-7-17-5-2-1-3-6-17/h1-3,5-6,8-11,20H,4,7,12-16H2,(H,23,25)
InChIKeySPMKDFKWXVZBNX-UHFFFAOYSA-N
MW340.44 g/mol
LogP3.65
Rot. Bonds6

About 4-fluoro-N-[1-(3-phenylpropyl)piperidin-4-yl]benzamide

4-fluoro-N-[1-(3-phenylpropyl)piperidin-4-yl]benzamide (PubChem CID 34799426) has the molecular formula C21H25FN2O and a molecular weight of 340.44 g/mol. Its IUPAC name is 4-fluoro-N-[1-(3-phenylpropyl)piperidin-4-yl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[1-(3-phenylpropyl)piperidin-4-yl]benzamide
PubChem CID34799426
Molecular FormulaC21H25FN2O
Molecular Weight340.44 g/mol
Exact Mass340.20
IUPAC Name4-fluoro-N-[1-(3-phenylpropyl)piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(CCCc2ccccc2)CC1)c1ccc(F)cc1
InChIInChI=1S/C21H25FN2O/c22-19-10-8-18(9-11-19)21(25)23-20-12-15-24(16-13-20)14-4-7-17-5-2-1-3-6-17/h1-3,5-6,8-11,20H,4,7,12-16H2,(H,23,25)
InChIKeySPMKDFKWXVZBNX-UHFFFAOYSA-N
XLogP3.65
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.44
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-N-[1-(2-methoxyethyl)piperidin-4-yl]benzamide
CID 34797820
[(3R)-1-(3-phenylpropyl)pyrrolidin-3-yl]carbamic acid
CID 154457780
N-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]benzamide
CID 21413251
4-fluoro-N-[(1R,5S)-8-(4-phenylbutanoyl)-8-azabicyclo[3.2.1]octan-3-yl]benzamide
CID 91912163
4-fluoro-N-[[(2R)-8-(3-phenylpropyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide
CID 26344101
ethane;formaldehyde;N-methyl-1-(3-phenylpropyl)pyrrolidin-3-amine;N-(1-methylpyrrolidin-3-yl)-4-phenylbenzamide
CID 142940687
N-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]benzamide
CID 33308755
1-[(4-fluorophenyl)methyl]-1-(2-hydroxyethyl)-3-[1-(2-phenylethyl)piperidin-4-yl]urea
CID 131945389
N-(1-benzylpiperidin-4-yl)-4-bromobenzamide
CID 1103952
1-(4-phenylbutyl)-N-(3-phenylpropyl)piperidin-4-amine
CID 24786198
N-[1-(4-anilino-4-oxobutyl)piperidin-4-yl]benzamide
CID 57114875
N-(1-benzylpiperidin-4-yl)-4-pyrrol-1-ylbenzamide
CID 25333072

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[1-(3-phenylpropyl)piperidin-4-yl]benzamide?
The IUPAC name of 4-fluoro-N-[1-(3-phenylpropyl)piperidin-4-yl]benzamide (CID 34799426) is 4-fluoro-N-[1-(3-phenylpropyl)piperidin-4-yl]benzamide.
What is the SMILES notation for 4-fluoro-N-[1-(3-phenylpropyl)piperidin-4-yl]benzamide?
The canonical SMILES for 4-fluoro-N-[1-(3-phenylpropyl)piperidin-4-yl]benzamide is O=C(NC1CCN(CCCc2ccccc2)CC1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[1-(3-phenylpropyl)piperidin-4-yl]benzamide?
The InChIKey is SPMKDFKWXVZBNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O/c22-19-10-8-18(9-11-19)21(25)23-20-12-15-24(16-13-20)14-4-7-17-5-2-1-3-6-17/h1-3,5-6,8-11,20H,4,7,12-16H2,(H,23,25).
What are the key properties of 4-fluoro-N-[1-(3-phenylpropyl)piperidin-4-yl]benzamide?
4-fluoro-N-[1-(3-phenylpropyl)piperidin-4-yl]benzamide has a molecular weight of 340.44 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[1-(3-phenylpropyl)piperidin-4-yl]benzamide is sourced from PubChem (CID 34799426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).