N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]butanamide

C16H24ClN3O — CID 952456

IUPACN-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]butanamide
SMILESCCCC(=O)Nc1cccc(Cl)c1N1CCN(CC)CC1
InChIInChI=1S/C16H24ClN3O/c1-3-6-15(21)18-14-8-5-7-13(17)16(14)20-11-9-19(4-2)10-12-20/h5,7-8H,3-4,6,9-12H2,1-2H3,(H,18,21)
InChIKeyDGOUAQHALFMUBH-UHFFFAOYSA-N
MW309.84 g/mol
LogP3.22
Rot. Bonds5

About N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]butanamide

N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]butanamide (PubChem CID 952456) has the molecular formula C16H24ClN3O and a molecular weight of 309.84 g/mol. Its IUPAC name is N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]butanamide.

Molecular Properties

Compound NameN-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]butanamide
PubChem CID952456
Molecular FormulaC16H24ClN3O
Molecular Weight309.84 g/mol
Exact Mass309.16
IUPAC NameN-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]butanamide
SMILESCCCC(=O)Nc1cccc(Cl)c1N1CCN(CC)CC1
InChIInChI=1S/C16H24ClN3O/c1-3-6-15(21)18-14-8-5-7-13(17)16(14)20-11-9-19(4-2)10-12-20/h5,7-8H,3-4,6,9-12H2,1-2H3,(H,18,21)
InChIKeyDGOUAQHALFMUBH-UHFFFAOYSA-N
XLogP3.22
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]butanamide 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-[[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]carbamothioyl]butanamide
CID 3483865
N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]butanamide
CID 17018500
5-chloro-N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]naphthalene-1-carboxamide
CID 4653783
N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-naphthalen-1-yloxyacetamide
CID 2963756
N-(3-chloro-2-pyrrolidin-1-ylphenyl)propanamide
CID 4308425
N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-(2-oxopyrimidin-1-yl)acetamide
CID 50954788
N-(3-chloro-2-piperidin-1-ylphenyl)propanamide
CID 4297017
N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-4-methoxybenzamide
CID 5030809
N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 4254373
2-(1,3-benzoxazol-2-ylsulfanyl)-N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]acetamide
CID 3906746
N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-3,4-dimethoxybenzamide
CID 5021302
4-bromo-N-[[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]carbamothioyl]benzamide
CID 4566183

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]butanamide?
The IUPAC name of N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]butanamide (CID 952456) is N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]butanamide.
What is the SMILES notation for N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]butanamide?
The canonical SMILES for N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]butanamide is CCCC(=O)Nc1cccc(Cl)c1N1CCN(CC)CC1.
What is the InChIKey of N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]butanamide?
The InChIKey is DGOUAQHALFMUBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O/c1-3-6-15(21)18-14-8-5-7-13(17)16(14)20-11-9-19(4-2)10-12-20/h5,7-8H,3-4,6,9-12H2,1-2H3,(H,18,21).
What are the key properties of N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]butanamide?
N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]butanamide has a molecular weight of 309.84 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]butanamide is sourced from PubChem (CID 952456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).