N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(3,4-dimethoxyphenyl)propanamide

C24H33N3O3 — CID 39963411

IUPACN-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(3,4-dimethoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)NCCN2CCN(Cc3ccccc3)CC2)cc1OC
InChIInChI=1S/C24H33N3O3/c1-29-22-10-8-20(18-23(22)30-2)9-11-24(28)25-12-13-26-14-16-27(17-15-26)19-21-6-4-3-5-7-21/h3-8,10,18H,9,11-17,19H2,1-2H3,(H,25,28)
InChIKeyCILJZYWIZKJPEI-UHFFFAOYSA-N
MW411.55 g/mol
LogP2.57
Rot. Bonds10

About N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(3,4-dimethoxyphenyl)propanamide

N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(3,4-dimethoxyphenyl)propanamide (PubChem CID 39963411) has the molecular formula C24H33N3O3 and a molecular weight of 411.55 g/mol. Its IUPAC name is N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(3,4-dimethoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(3,4-dimethoxyphenyl)propanamide
PubChem CID39963411
Molecular FormulaC24H33N3O3
Molecular Weight411.55 g/mol
Exact Mass411.25
IUPAC NameN-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(3,4-dimethoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)NCCN2CCN(Cc3ccccc3)CC2)cc1OC
InChIInChI=1S/C24H33N3O3/c1-29-22-10-8-20(18-23(22)30-2)9-11-24(28)25-12-13-26-14-16-27(17-15-26)19-21-6-4-3-5-7-21/h3-8,10,18H,9,11-17,19H2,1-2H3,(H,25,28)
InChIKeyCILJZYWIZKJPEI-UHFFFAOYSA-N
XLogP2.57
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.55
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(3,4-dimethoxyphenyl)propanamide 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-(4-benzylpiperazin-1-yl)ethyl]-3-phenylpropanamide
CID 39985544
N-[2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]ethyl]acetamide
CID 8871922
N-[3-(azepan-1-yl)propyl]-3-(3,4-dimethoxyphenyl)propanamide
CID 92675634
N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(2-ethoxyphenyl)propanamide
CID 39302579
N-[(3,4-dimethoxyphenyl)methyl]-3-phenylpropanamide
CID 803893
N-[(3,4-dimethoxyphenyl)methyl]-4-(2-phenylethyl)piperazine-1-carboxamide
CID 38198135
N-[2-(4-benzylpiperazin-1-yl)ethyl]-4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)butanamide
CID 55522180
3-(3-amino-4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)propanamide
CID 39442278
4-(3,4-dimethoxyphenyl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]butanamide
CID 110625284
N-[2-[3-(3,4-dimethoxyphenyl)propanoylamino]ethyl]butanamide
CID 108574268
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(4-methylphenyl)methyl]piperazine-1-carboxamide
CID 113107031
N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(4-methoxyphenyl)sulfanylpropanamide
CID 39983244

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(3,4-dimethoxyphenyl)propanamide?
The IUPAC name of N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(3,4-dimethoxyphenyl)propanamide (CID 39963411) is N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(3,4-dimethoxyphenyl)propanamide.
What is the SMILES notation for N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(3,4-dimethoxyphenyl)propanamide?
The canonical SMILES for N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(3,4-dimethoxyphenyl)propanamide is COc1ccc(CCC(=O)NCCN2CCN(Cc3ccccc3)CC2)cc1OC.
What is the InChIKey of N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(3,4-dimethoxyphenyl)propanamide?
The InChIKey is CILJZYWIZKJPEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O3/c1-29-22-10-8-20(18-23(22)30-2)9-11-24(28)25-12-13-26-14-16-27(17-15-26)19-21-6-4-3-5-7-21/h3-8,10,18H,9,11-17,19H2,1-2H3,(H,25,28).
What are the key properties of N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(3,4-dimethoxyphenyl)propanamide?
N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(3,4-dimethoxyphenyl)propanamide has a molecular weight of 411.55 g/mol, XLogP of 2.57, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(3,4-dimethoxyphenyl)propanamide is sourced from PubChem (CID 39963411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).