N-[4-(2-aminoethyl)phenyl]-3-(4-methylpiperazin-1-yl)propanamide

C16H26N4O — CID 148502419

IUPACN-[4-(2-aminoethyl)phenyl]-3-(4-methylpiperazin-1-yl)propanamide
SMILESCN1CCN(CCC(=O)Nc2ccc(CCN)cc2)CC1
InChIInChI=1S/C16H26N4O/c1-19-10-12-20(13-11-19)9-7-16(21)18-15-4-2-14(3-5-15)6-8-17/h2-5H,6-13,17H2,1H3,(H,18,21)
InChIKeyMKXILXLQDPPPQM-UHFFFAOYSA-N
MW290.41 g/mol
LogP0.76
Rot. Bonds6

About N-[4-(2-aminoethyl)phenyl]-3-(4-methylpiperazin-1-yl)propanamide

N-[4-(2-aminoethyl)phenyl]-3-(4-methylpiperazin-1-yl)propanamide (PubChem CID 148502419) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is N-[4-(2-aminoethyl)phenyl]-3-(4-methylpiperazin-1-yl)propanamide.

Molecular Properties

Compound NameN-[4-(2-aminoethyl)phenyl]-3-(4-methylpiperazin-1-yl)propanamide
PubChem CID148502419
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC NameN-[4-(2-aminoethyl)phenyl]-3-(4-methylpiperazin-1-yl)propanamide
SMILESCN1CCN(CCC(=O)Nc2ccc(CCN)cc2)CC1
InChIInChI=1S/C16H26N4O/c1-19-10-12-20(13-11-19)9-7-16(21)18-15-4-2-14(3-5-15)6-8-17/h2-5H,6-13,17H2,1H3,(H,18,21)
InChIKeyMKXILXLQDPPPQM-UHFFFAOYSA-N
XLogP0.76
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-(2-aminoethyl)phenyl]-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

Related Compounds

N-(4-methylphenyl)-3-(4-methylpiperazin-1-yl)propanamide;dihydrochloride
CID 19661853
3-(4-methylpiperazin-1-yl)-N-phenylpropanamide
CID 719539
ethyl 4-[3-(4-methylpiperazin-1-yl)propanoylamino]benzoate
CID 109017437
N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-3-[4-(trifluoromethyl)phenyl]propanamide
CID 86897509
3-(4-acetylpiperazin-1-yl)-N-(4-ethylphenyl)propanamide
CID 109018341
N-[4-(aminomethyl)phenyl]-3-morpholin-4-ylpropanamide
CID 16779088
7-amino-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]heptanamide
CID 119862086
3-(4-methylpiperazin-1-yl)-N-(4-phenylmethoxyphenyl)propanamide
CID 574794
4-amino-N-[4-(2-morpholin-4-ylethyl)phenyl]butanamide
CID 119860982
methyl 4-[4-[3-(4-phenylpiperazin-1-yl)propanoylamino]phenyl]butanoate
CID 14209810
N-[4-(aminomethyl)phenyl]-3-(3,4-dimethylpyrrolidin-1-yl)propanamide
CID 79188013
4-amino-N-[4-(4-methylpiperazin-1-yl)phenyl]butanamide
CID 22692234

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-aminoethyl)phenyl]-3-(4-methylpiperazin-1-yl)propanamide?
The IUPAC name of N-[4-(2-aminoethyl)phenyl]-3-(4-methylpiperazin-1-yl)propanamide (CID 148502419) is N-[4-(2-aminoethyl)phenyl]-3-(4-methylpiperazin-1-yl)propanamide.
What is the SMILES notation for N-[4-(2-aminoethyl)phenyl]-3-(4-methylpiperazin-1-yl)propanamide?
The canonical SMILES for N-[4-(2-aminoethyl)phenyl]-3-(4-methylpiperazin-1-yl)propanamide is CN1CCN(CCC(=O)Nc2ccc(CCN)cc2)CC1.
What is the InChIKey of N-[4-(2-aminoethyl)phenyl]-3-(4-methylpiperazin-1-yl)propanamide?
The InChIKey is MKXILXLQDPPPQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-19-10-12-20(13-11-19)9-7-16(21)18-15-4-2-14(3-5-15)6-8-17/h2-5H,6-13,17H2,1H3,(H,18,21).
What are the key properties of N-[4-(2-aminoethyl)phenyl]-3-(4-methylpiperazin-1-yl)propanamide?
N-[4-(2-aminoethyl)phenyl]-3-(4-methylpiperazin-1-yl)propanamide has a molecular weight of 290.41 g/mol, XLogP of 0.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-aminoethyl)phenyl]-3-(4-methylpiperazin-1-yl)propanamide is sourced from PubChem (CID 148502419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).