N-benzyl-3-(4-benzylpiperazin-1-yl)-N-methylpropanamide

C22H29N3O — CID 109020407

IUPACN-benzyl-3-(4-benzylpiperazin-1-yl)-N-methylpropanamide
SMILESCN(Cc1ccccc1)C(=O)CCN1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C22H29N3O/c1-23(18-20-8-4-2-5-9-20)22(26)12-13-24-14-16-25(17-15-24)19-21-10-6-3-7-11-21/h2-11H,12-19H2,1H3
InChIKeyBYHPEVFOMQDJAU-UHFFFAOYSA-N
MW351.49 g/mol
LogP2.85
Rot. Bonds7

About N-benzyl-3-(4-benzylpiperazin-1-yl)-N-methylpropanamide

N-benzyl-3-(4-benzylpiperazin-1-yl)-N-methylpropanamide (PubChem CID 109020407) has the molecular formula C22H29N3O and a molecular weight of 351.49 g/mol. Its IUPAC name is N-benzyl-3-(4-benzylpiperazin-1-yl)-N-methylpropanamide.

Molecular Properties

Compound NameN-benzyl-3-(4-benzylpiperazin-1-yl)-N-methylpropanamide
PubChem CID109020407
Molecular FormulaC22H29N3O
Molecular Weight351.49 g/mol
Exact Mass351.23
IUPAC NameN-benzyl-3-(4-benzylpiperazin-1-yl)-N-methylpropanamide
SMILESCN(Cc1ccccc1)C(=O)CCN1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C22H29N3O/c1-23(18-20-8-4-2-5-9-20)22(26)12-13-24-14-16-25(17-15-24)19-21-10-6-3-7-11-21/h2-11H,12-19H2,1H3
InChIKeyBYHPEVFOMQDJAU-UHFFFAOYSA-N
XLogP2.85
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-benzyl-3-(4-benzylpiperazin-1-yl)-N-methylpropanamide 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

4-(4-benzylpiperazin-1-yl)butan-2-one;ethane
CID 91431275
N-benzyl-3-[(1S,3R)-1,3-dihydroxy-7-azaspiro[3.5]nonan-7-yl]-N-methylpropanamide
CID 72918991
N-benzyl-3-(4-cyano-4-phenylpiperidin-1-yl)-N-methylpropanamide
CID 91842439
N-benzyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-methylacetamide
CID 60645191
CID 88746072
CID 88746072
2-(4-benzylpiperazin-1-yl)-N-methyl-N-phenylacetamide
CID 44768291
3-(4-benzylpiperazin-1-yl)-N-[3-(dimethylamino)propyl]propanamide
CID 109016894
2-(4-benzylpiperazin-1-yl)-N-(furan-2-ylmethyl)-N-methylacetamide
CID 78787266
N,N'-dibenzyl-N,N'-dimethylpropanediamide
CID 2392235
N-benzyl-N-methylpentanamide
CID 4629611
N-benzyl-3-(2-ethylpiperidin-1-yl)-N-methylpropanamide
CID 109020436
N-benzyl-3-(4-methylpiperidin-1-yl)-N-phenylpropanamide
CID 109014601

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(4-benzylpiperazin-1-yl)-N-methylpropanamide?
The IUPAC name of N-benzyl-3-(4-benzylpiperazin-1-yl)-N-methylpropanamide (CID 109020407) is N-benzyl-3-(4-benzylpiperazin-1-yl)-N-methylpropanamide.
What is the SMILES notation for N-benzyl-3-(4-benzylpiperazin-1-yl)-N-methylpropanamide?
The canonical SMILES for N-benzyl-3-(4-benzylpiperazin-1-yl)-N-methylpropanamide is CN(Cc1ccccc1)C(=O)CCN1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-benzyl-3-(4-benzylpiperazin-1-yl)-N-methylpropanamide?
The InChIKey is BYHPEVFOMQDJAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O/c1-23(18-20-8-4-2-5-9-20)22(26)12-13-24-14-16-25(17-15-24)19-21-10-6-3-7-11-21/h2-11H,12-19H2,1H3.
What are the key properties of N-benzyl-3-(4-benzylpiperazin-1-yl)-N-methylpropanamide?
N-benzyl-3-(4-benzylpiperazin-1-yl)-N-methylpropanamide has a molecular weight of 351.49 g/mol, XLogP of 2.85, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(4-benzylpiperazin-1-yl)-N-methylpropanamide is sourced from PubChem (CID 109020407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).