N-[2-(4-methylpiperazin-1-yl)-2-phenylethyl]pentanamide

C18H29N3O — CID 112503144

IUPACN-[2-(4-methylpiperazin-1-yl)-2-phenylethyl]pentanamide
SMILESCCCCC(=O)NCC(c1ccccc1)N1CCN(C)CC1
InChIInChI=1S/C18H29N3O/c1-3-4-10-18(22)19-15-17(16-8-6-5-7-9-16)21-13-11-20(2)12-14-21/h5-9,17H,3-4,10-15H2,1-2H3,(H,19,22)
InChIKeyVNJXXMJBGZSCPL-UHFFFAOYSA-N
MW303.45 g/mol
LogP2.28
Rot. Bonds7

About N-[2-(4-methylpiperazin-1-yl)-2-phenylethyl]pentanamide

N-[2-(4-methylpiperazin-1-yl)-2-phenylethyl]pentanamide (PubChem CID 112503144) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is N-[2-(4-methylpiperazin-1-yl)-2-phenylethyl]pentanamide.

Molecular Properties

Compound NameN-[2-(4-methylpiperazin-1-yl)-2-phenylethyl]pentanamide
PubChem CID112503144
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC NameN-[2-(4-methylpiperazin-1-yl)-2-phenylethyl]pentanamide
SMILESCCCCC(=O)NCC(c1ccccc1)N1CCN(C)CC1
InChIInChI=1S/C18H29N3O/c1-3-4-10-18(22)19-15-17(16-8-6-5-7-9-16)21-13-11-20(2)12-14-21/h5-9,17H,3-4,10-15H2,1-2H3,(H,19,22)
InChIKeyVNJXXMJBGZSCPL-UHFFFAOYSA-N
XLogP2.28
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(4-methylpiperazin-1-yl)-2-phenylethyl]pentanamide 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-[(2R)-2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]butanamide
CID 35180484
N-[(2S)-2-[4-(dimethylamino)phenyl]-2-(4-phenylpiperazin-1-yl)ethyl]pentanamide
CID 7497385
N-[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]-4-phenylbutanamide
CID 51728290
N-[2-(4-ethylpiperazin-1-yl)-2-(4-methoxyphenyl)ethyl]pentanamide
CID 112505226
N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)pentanamide
CID 16931235
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]pentanamide
CID 60597314
N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]-3-phenylpropanamide
CID 16931428
N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-5-thiophen-2-ylpentanamide
CID 110302964
(2E)-2-benzylidene-N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]butanamide
CID 110302969
N-(2-amino-2-phenylethyl)pentanamide
CID 63120587
N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-4-pyridin-3-ylbutanamide
CID 110622335
N-[(2S)-2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-2-phenoxyacetamide
CID 30630276

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpiperazin-1-yl)-2-phenylethyl]pentanamide?
The IUPAC name of N-[2-(4-methylpiperazin-1-yl)-2-phenylethyl]pentanamide (CID 112503144) is N-[2-(4-methylpiperazin-1-yl)-2-phenylethyl]pentanamide.
What is the SMILES notation for N-[2-(4-methylpiperazin-1-yl)-2-phenylethyl]pentanamide?
The canonical SMILES for N-[2-(4-methylpiperazin-1-yl)-2-phenylethyl]pentanamide is CCCCC(=O)NCC(c1ccccc1)N1CCN(C)CC1.
What is the InChIKey of N-[2-(4-methylpiperazin-1-yl)-2-phenylethyl]pentanamide?
The InChIKey is VNJXXMJBGZSCPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O/c1-3-4-10-18(22)19-15-17(16-8-6-5-7-9-16)21-13-11-20(2)12-14-21/h5-9,17H,3-4,10-15H2,1-2H3,(H,19,22).
What are the key properties of N-[2-(4-methylpiperazin-1-yl)-2-phenylethyl]pentanamide?
N-[2-(4-methylpiperazin-1-yl)-2-phenylethyl]pentanamide has a molecular weight of 303.45 g/mol, XLogP of 2.28, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpiperazin-1-yl)-2-phenylethyl]pentanamide is sourced from PubChem (CID 112503144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).