N-[1-(3,3-diphenylpropyl)piperidin-4-yl]-N-methylbenzamide

C28H32N2O — CID 18381967

IUPACN-[1-(3,3-diphenylpropyl)piperidin-4-yl]-N-methylbenzamide
SMILESCN(C(=O)c1ccccc1)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C28H32N2O/c1-29(28(31)25-15-9-4-10-16-25)26-17-20-30(21-18-26)22-19-27(23-11-5-2-6-12-23)24-13-7-3-8-14-24/h2-16,26-27H,17-22H2,1H3
InChIKeyWDDXFQHTPPBWKK-UHFFFAOYSA-N
MW412.58 g/mol
LogP5.45
Rot. Bonds7

About N-[1-(3,3-diphenylpropyl)piperidin-4-yl]-N-methylbenzamide

N-[1-(3,3-diphenylpropyl)piperidin-4-yl]-N-methylbenzamide (PubChem CID 18381967) has the molecular formula C28H32N2O and a molecular weight of 412.58 g/mol. Its IUPAC name is N-[1-(3,3-diphenylpropyl)piperidin-4-yl]-N-methylbenzamide.

Molecular Properties

Compound NameN-[1-(3,3-diphenylpropyl)piperidin-4-yl]-N-methylbenzamide
PubChem CID18381967
Molecular FormulaC28H32N2O
Molecular Weight412.58 g/mol
Exact Mass412.25
IUPAC NameN-[1-(3,3-diphenylpropyl)piperidin-4-yl]-N-methylbenzamide
SMILESCN(C(=O)c1ccccc1)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C28H32N2O/c1-29(28(31)25-15-9-4-10-16-25)26-17-20-30(21-18-26)22-19-27(23-11-5-2-6-12-23)24-13-7-3-8-14-24/h2-16,26-27H,17-22H2,1H3
InChIKeyWDDXFQHTPPBWKK-UHFFFAOYSA-N
XLogP5.45
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.58
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,4-dimethyl-N-[1-(3-methylbutyl)piperidin-4-yl]benzamide
CID 143233555
4-bromo-N-methyl-N-(1-propylpiperidin-4-yl)benzamide
CID 61041639
1-(3,3-diphenylpropyl)piperidin-4-amine;bis(2,2,2-trifluoroacetic acid)
CID 22254650
1-(3,3-diphenylpropyl)-N-[(1-methylpiperidin-4-yl)methyl]piperidine-4-carboxamide
CID 25224578
N-[(3R)-3-[benzoyl(methyl)amino]cyclohexyl]-N-methylbenzamide
CID 143430707
benzyl 1-(3,3-diphenylpropyl)piperidine-4-carboxylate
CID 25223025
1-(3,3-diphenylpropyl)-N-(2-phenylethyl)piperidine-4-carboxamide
CID 25223132
N-methyl-N-(1-methylpiperidin-4-yl)-4-[1-(2-phenylethyl)piperidin-4-yl]oxybenzamide
CID 26328291
N-[4-[4-[benzoyl(cyclohexyl)amino]piperidin-1-yl]-2-(3,4-dichlorophenyl)butyl]-N-methylbenzamide
CID 69113868
N-[4-[4-[benzoyl-(1-methylpiperidin-4-yl)amino]piperidin-1-yl]-2-(3,4-dichlorophenyl)butyl]-N-methylbenzamide
CID 69113639
4-acetyl-N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]benzamide
CID 45196763
1-(3,3-diphenylpropyl)-4-ethenylpiperidine
CID 89209836

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,3-diphenylpropyl)piperidin-4-yl]-N-methylbenzamide?
The IUPAC name of N-[1-(3,3-diphenylpropyl)piperidin-4-yl]-N-methylbenzamide (CID 18381967) is N-[1-(3,3-diphenylpropyl)piperidin-4-yl]-N-methylbenzamide.
What is the SMILES notation for N-[1-(3,3-diphenylpropyl)piperidin-4-yl]-N-methylbenzamide?
The canonical SMILES for N-[1-(3,3-diphenylpropyl)piperidin-4-yl]-N-methylbenzamide is CN(C(=O)c1ccccc1)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of N-[1-(3,3-diphenylpropyl)piperidin-4-yl]-N-methylbenzamide?
The InChIKey is WDDXFQHTPPBWKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2O/c1-29(28(31)25-15-9-4-10-16-25)26-17-20-30(21-18-26)22-19-27(23-11-5-2-6-12-23)24-13-7-3-8-14-24/h2-16,26-27H,17-22H2,1H3.
What are the key properties of N-[1-(3,3-diphenylpropyl)piperidin-4-yl]-N-methylbenzamide?
N-[1-(3,3-diphenylpropyl)piperidin-4-yl]-N-methylbenzamide has a molecular weight of 412.58 g/mol, XLogP of 5.45, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,3-diphenylpropyl)piperidin-4-yl]-N-methylbenzamide is sourced from PubChem (CID 18381967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).