N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-3-fluoro-N-(1-phenylethyl)benzamide

C30H33FN2O2 — CID 42703161

IUPACN-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-3-fluoro-N-(1-phenylethyl)benzamide
SMILESCC(c1ccccc1)N(CCC(=O)N1CCC(Cc2ccccc2)CC1)C(=O)c1cccc(F)c1
InChIInChI=1S/C30H33FN2O2/c1-23(26-11-6-3-7-12-26)33(30(35)27-13-8-14-28(31)22-27)20-17-29(34)32-18-15-25(16-19-32)21-24-9-4-2-5-10-24/h2-14,22-23,25H,15-21H2,1H3
InChIKeyHVVVLUVZCUBCIL-UHFFFAOYSA-N
MW472.60 g/mol
LogP5.90
Rot. Bonds8

About N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-3-fluoro-N-(1-phenylethyl)benzamide

N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-3-fluoro-N-(1-phenylethyl)benzamide (PubChem CID 42703161) has the molecular formula C30H33FN2O2 and a molecular weight of 472.60 g/mol. Its IUPAC name is N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-3-fluoro-N-(1-phenylethyl)benzamide.

Molecular Properties

Compound NameN-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-3-fluoro-N-(1-phenylethyl)benzamide
PubChem CID42703161
Molecular FormulaC30H33FN2O2
Molecular Weight472.60 g/mol
Exact Mass472.25
IUPAC NameN-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-3-fluoro-N-(1-phenylethyl)benzamide
SMILESCC(c1ccccc1)N(CCC(=O)N1CCC(Cc2ccccc2)CC1)C(=O)c1cccc(F)c1
InChIInChI=1S/C30H33FN2O2/c1-23(26-11-6-3-7-12-26)33(30(35)27-13-8-14-28(31)22-27)20-17-29(34)32-18-15-25(16-19-32)21-24-9-4-2-5-10-24/h2-14,22-23,25H,15-21H2,1H3
InChIKeyHVVVLUVZCUBCIL-UHFFFAOYSA-N
XLogP5.90
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.60
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-N-(1-phenylethyl)acetamide
CID 113118967
3-fluoro-N-(3-oxo-3-piperazin-1-ylpropyl)-N-(2-phenylpropyl)benzamide
CID 50779377
4-amino-1-(4-benzylpiperidin-1-yl)pentan-1-one;hydrochloride
CID 120558672
1-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-3-cyclohexyl-1-propan-2-ylurea
CID 42698802
1-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-2-(methylamino)ethanone
CID 119736878
1-(4-benzylpiperidin-1-yl)-3-[butyl(methyl)amino]propan-1-one
CID 109032445
N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-N-cyclohexylacetamide
CID 113116586
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(1-phenylethyl)acetamide
CID 113118944
3-(4-benzylpiperidine-1-carbonyl)-N-(2-methylpropyl)benzamide
CID 109051316
1-(4-benzylpiperidin-1-yl)-4-(3-methoxyphenyl)butane-1,4-dione
CID 110416061
3-fluoro-N-(2-methylpropyl)-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779795
3-[benzoyl(1-phenylethyl)amino]propanoic acid
CID 82324526

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-3-fluoro-N-(1-phenylethyl)benzamide?
The IUPAC name of N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-3-fluoro-N-(1-phenylethyl)benzamide (CID 42703161) is N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-3-fluoro-N-(1-phenylethyl)benzamide.
What is the SMILES notation for N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-3-fluoro-N-(1-phenylethyl)benzamide?
The canonical SMILES for N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-3-fluoro-N-(1-phenylethyl)benzamide is CC(c1ccccc1)N(CCC(=O)N1CCC(Cc2ccccc2)CC1)C(=O)c1cccc(F)c1.
What is the InChIKey of N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-3-fluoro-N-(1-phenylethyl)benzamide?
The InChIKey is HVVVLUVZCUBCIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33FN2O2/c1-23(26-11-6-3-7-12-26)33(30(35)27-13-8-14-28(31)22-27)20-17-29(34)32-18-15-25(16-19-32)21-24-9-4-2-5-10-24/h2-14,22-23,25H,15-21H2,1H3.
What are the key properties of N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-3-fluoro-N-(1-phenylethyl)benzamide?
N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-3-fluoro-N-(1-phenylethyl)benzamide has a molecular weight of 472.60 g/mol, XLogP of 5.90, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-3-fluoro-N-(1-phenylethyl)benzamide is sourced from PubChem (CID 42703161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).