N-benzyl-N-[2-(1-benzylpiperidin-4-yl)ethyl]benzamide

C28H32N2O — CID 14553502

IUPACN-benzyl-N-[2-(1-benzylpiperidin-4-yl)ethyl]benzamide
SMILESO=C(c1ccccc1)N(CCC1CCN(Cc2ccccc2)CC1)Cc1ccccc1
InChIInChI=1S/C28H32N2O/c31-28(27-14-8-3-9-15-27)30(23-26-12-6-2-7-13-26)21-18-24-16-19-29(20-17-24)22-25-10-4-1-5-11-25/h1-15,24H,16-23H2
InChIKeyVFIHDJRABVIPMZ-UHFFFAOYSA-N
MW412.58 g/mol
LogP5.63
Rot. Bonds8

About N-benzyl-N-[2-(1-benzylpiperidin-4-yl)ethyl]benzamide

N-benzyl-N-[2-(1-benzylpiperidin-4-yl)ethyl]benzamide (PubChem CID 14553502) has the molecular formula C28H32N2O and a molecular weight of 412.58 g/mol. Its IUPAC name is N-benzyl-N-[2-(1-benzylpiperidin-4-yl)ethyl]benzamide.

Molecular Properties

Compound NameN-benzyl-N-[2-(1-benzylpiperidin-4-yl)ethyl]benzamide
PubChem CID14553502
Molecular FormulaC28H32N2O
Molecular Weight412.58 g/mol
Exact Mass412.25
IUPAC NameN-benzyl-N-[2-(1-benzylpiperidin-4-yl)ethyl]benzamide
SMILESO=C(c1ccccc1)N(CCC1CCN(Cc2ccccc2)CC1)Cc1ccccc1
InChIInChI=1S/C28H32N2O/c31-28(27-14-8-3-9-15-27)30(23-26-12-6-2-7-13-26)21-18-24-16-19-29(20-17-24)22-25-10-4-1-5-11-25/h1-15,24H,16-23H2
InChIKeyVFIHDJRABVIPMZ-UHFFFAOYSA-N
XLogP5.63
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.58
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-benzyl-N-[2-(1-benzylpiperidin-4-yl)ethyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-methylbenzamide
CID 10019926
N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-methylbenzamide;hydrochloride
CID 14096792
N-[2-(1-benzylpiperidin-4-yl)ethyl-ethylcarbamothioyl]benzamide
CID 10364177
N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-phenylpyridine-3-carboxamide
CID 23223142
N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-methyl-2-phenylacetamide
CID 11163946
3-(1-benzylazepan-4-yl)propanoic acid
CID 82624039
N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-methyl-3-phenylprop-2-enamide
CID 56983782
4-(dibenzylcarbamoyl)benzoic acid
CID 67563328
2-(1-benzylpiperidin-4-yl)ethanamine;dihydrochloride
CID 17221509
4-(1-benzylpiperidin-4-yl)benzoic acid
CID 125492559
N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-phenoxybenzamide
CID 14851781
N-[2-(1-benzylpiperidin-4-yl)ethyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide
CID 23474665

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[2-(1-benzylpiperidin-4-yl)ethyl]benzamide?
The IUPAC name of N-benzyl-N-[2-(1-benzylpiperidin-4-yl)ethyl]benzamide (CID 14553502) is N-benzyl-N-[2-(1-benzylpiperidin-4-yl)ethyl]benzamide.
What is the SMILES notation for N-benzyl-N-[2-(1-benzylpiperidin-4-yl)ethyl]benzamide?
The canonical SMILES for N-benzyl-N-[2-(1-benzylpiperidin-4-yl)ethyl]benzamide is O=C(c1ccccc1)N(CCC1CCN(Cc2ccccc2)CC1)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-[2-(1-benzylpiperidin-4-yl)ethyl]benzamide?
The InChIKey is VFIHDJRABVIPMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2O/c31-28(27-14-8-3-9-15-27)30(23-26-12-6-2-7-13-26)21-18-24-16-19-29(20-17-24)22-25-10-4-1-5-11-25/h1-15,24H,16-23H2.
What are the key properties of N-benzyl-N-[2-(1-benzylpiperidin-4-yl)ethyl]benzamide?
N-benzyl-N-[2-(1-benzylpiperidin-4-yl)ethyl]benzamide has a molecular weight of 412.58 g/mol, XLogP of 5.63, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[2-(1-benzylpiperidin-4-yl)ethyl]benzamide is sourced from PubChem (CID 14553502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).