N-(3,5-dimethoxyphenyl)-3-(4-methylpiperazin-1-yl)propanamide

C16H25N3O3 — CID 882001

IUPACN-(3,5-dimethoxyphenyl)-3-(4-methylpiperazin-1-yl)propanamide
SMILESCOc1cc(NC(=O)CCN2CCN(C)CC2)cc(OC)c1
InChIInChI=1S/C16H25N3O3/c1-18-6-8-19(9-7-18)5-4-16(20)17-13-10-14(21-2)12-15(11-13)22-3/h10-12H,4-9H2,1-3H3,(H,17,20)
InChIKeyUTKCLLCLVRSGMJ-UHFFFAOYSA-N
MW307.39 g/mol
LogP1.28
Rot. Bonds6

About N-(3,5-dimethoxyphenyl)-3-(4-methylpiperazin-1-yl)propanamide

N-(3,5-dimethoxyphenyl)-3-(4-methylpiperazin-1-yl)propanamide (PubChem CID 882001) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-3-(4-methylpiperazin-1-yl)propanamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-3-(4-methylpiperazin-1-yl)propanamide
PubChem CID882001
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC NameN-(3,5-dimethoxyphenyl)-3-(4-methylpiperazin-1-yl)propanamide
SMILESCOc1cc(NC(=O)CCN2CCN(C)CC2)cc(OC)c1
InChIInChI=1S/C16H25N3O3/c1-18-6-8-19(9-7-18)5-4-16(20)17-13-10-14(21-2)12-15(11-13)22-3/h10-12H,4-9H2,1-3H3,(H,17,20)
InChIKeyUTKCLLCLVRSGMJ-UHFFFAOYSA-N
XLogP1.28
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3,5-dimethoxyphenyl)-3-(4-methylpiperazin-1-yl)propanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-3-(4-methylpiperazin-1-yl)propanamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-3-(4-methylpiperazin-1-yl)propanamide (CID 882001) is N-(3,5-dimethoxyphenyl)-3-(4-methylpiperazin-1-yl)propanamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-3-(4-methylpiperazin-1-yl)propanamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-3-(4-methylpiperazin-1-yl)propanamide is COc1cc(NC(=O)CCN2CCN(C)CC2)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-3-(4-methylpiperazin-1-yl)propanamide?
The InChIKey is UTKCLLCLVRSGMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-18-6-8-19(9-7-18)5-4-16(20)17-13-10-14(21-2)12-15(11-13)22-3/h10-12H,4-9H2,1-3H3,(H,17,20).
What are the key properties of N-(3,5-dimethoxyphenyl)-3-(4-methylpiperazin-1-yl)propanamide?
N-(3,5-dimethoxyphenyl)-3-(4-methylpiperazin-1-yl)propanamide has a molecular weight of 307.39 g/mol, XLogP of 1.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-3-(4-methylpiperazin-1-yl)propanamide is sourced from PubChem (CID 882001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).