N-benzyl-3-[(4-benzylpiperidin-1-yl)methyl]benzamide

C27H30N2O — CID 42850884

IUPACN-benzyl-3-[(4-benzylpiperidin-1-yl)methyl]benzamide
SMILESO=C(NCc1ccccc1)c1cccc(CN2CCC(Cc3ccccc3)CC2)c1
InChIInChI=1S/C27H30N2O/c30-27(28-20-24-10-5-2-6-11-24)26-13-7-12-25(19-26)21-29-16-14-23(15-17-29)18-22-8-3-1-4-9-22/h1-13,19,23H,14-18,20-21H2,(H,28,30)
InChIKeyGTMUVWRAWHXQKN-UHFFFAOYSA-N
MW398.55 g/mol
LogP5.07
Rot. Bonds7

About N-benzyl-3-[(4-benzylpiperidin-1-yl)methyl]benzamide

N-benzyl-3-[(4-benzylpiperidin-1-yl)methyl]benzamide (PubChem CID 42850884) has the molecular formula C27H30N2O and a molecular weight of 398.55 g/mol. Its IUPAC name is N-benzyl-3-[(4-benzylpiperidin-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-benzyl-3-[(4-benzylpiperidin-1-yl)methyl]benzamide
PubChem CID42850884
Molecular FormulaC27H30N2O
Molecular Weight398.55 g/mol
Exact Mass398.24
IUPAC NameN-benzyl-3-[(4-benzylpiperidin-1-yl)methyl]benzamide
SMILESO=C(NCc1ccccc1)c1cccc(CN2CCC(Cc3ccccc3)CC2)c1
InChIInChI=1S/C27H30N2O/c30-27(28-20-24-10-5-2-6-11-24)26-13-7-12-25(19-26)21-29-16-14-23(15-17-29)18-22-8-3-1-4-9-22/h1-13,19,23H,14-18,20-21H2,(H,28,30)
InChIKeyGTMUVWRAWHXQKN-UHFFFAOYSA-N
XLogP5.07
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.55
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-benzyl-3-[(4-benzylpiperidin-1-yl)methyl]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

3-[(4-benzylpiperidin-1-yl)methyl]-N-[(2-fluorophenyl)methyl]benzamide
CID 42850898
3-[(4-benzylpiperidin-1-yl)methyl]-N-cyclopropylbenzamide
CID 42850889
N-benzyl-3-[[4-[3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]propyl]piperidin-1-yl]methyl]benzamide
CID 10186514
4-[(4-benzylpiperidin-1-yl)methyl]-N-[(3-methylphenyl)methyl]benzamide
CID 46043518
4-[(4-benzylpiperidin-1-yl)methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 42850871
N-benzyl-3-[[4-(3,3-diphenylpropyl)piperazin-1-yl]methyl]benzamide
CID 91479022
3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide
CID 43917996
N-benzyl-3-[[4-(4-methylphenyl)piperazin-1-yl]methyl]benzamide
CID 83288344
N-benzyl-3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]benzamide
CID 42858908
1-benzyl-3-[2-[(4-benzylpiperidin-1-yl)methyl]phenyl]urea
CID 11133428
3-[(4-ethylpiperidin-1-yl)methyl]benzohydrazide
CID 63577694
N-benzyl-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 43918767

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[(4-benzylpiperidin-1-yl)methyl]benzamide?
The IUPAC name of N-benzyl-3-[(4-benzylpiperidin-1-yl)methyl]benzamide (CID 42850884) is N-benzyl-3-[(4-benzylpiperidin-1-yl)methyl]benzamide.
What is the SMILES notation for N-benzyl-3-[(4-benzylpiperidin-1-yl)methyl]benzamide?
The canonical SMILES for N-benzyl-3-[(4-benzylpiperidin-1-yl)methyl]benzamide is O=C(NCc1ccccc1)c1cccc(CN2CCC(Cc3ccccc3)CC2)c1.
What is the InChIKey of N-benzyl-3-[(4-benzylpiperidin-1-yl)methyl]benzamide?
The InChIKey is GTMUVWRAWHXQKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O/c30-27(28-20-24-10-5-2-6-11-24)26-13-7-12-25(19-26)21-29-16-14-23(15-17-29)18-22-8-3-1-4-9-22/h1-13,19,23H,14-18,20-21H2,(H,28,30).
What are the key properties of N-benzyl-3-[(4-benzylpiperidin-1-yl)methyl]benzamide?
N-benzyl-3-[(4-benzylpiperidin-1-yl)methyl]benzamide has a molecular weight of 398.55 g/mol, XLogP of 5.07, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[(4-benzylpiperidin-1-yl)methyl]benzamide is sourced from PubChem (CID 42850884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).