4-(4-chlorophenoxy)-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]butanamide

C23H30ClN3O2 — CID 55840604

IUPAC4-(4-chlorophenoxy)-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]butanamide
SMILESCN1CCN(Cc2ccc(CNC(=O)CCCOc3ccc(Cl)cc3)cc2)CC1
InChIInChI=1S/C23H30ClN3O2/c1-26-12-14-27(15-13-26)18-20-6-4-19(5-7-20)17-25-23(28)3-2-16-29-22-10-8-21(24)9-11-22/h4-11H,2-3,12-18H2,1H3,(H,25,28)
InChIKeyMYJGWMKVXOUQPP-UHFFFAOYSA-N
MW415.97 g/mol
LogP3.56
Rot. Bonds9

About 4-(4-chlorophenoxy)-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]butanamide

4-(4-chlorophenoxy)-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]butanamide (PubChem CID 55840604) has the molecular formula C23H30ClN3O2 and a molecular weight of 415.97 g/mol. Its IUPAC name is 4-(4-chlorophenoxy)-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]butanamide.

Molecular Properties

Compound Name4-(4-chlorophenoxy)-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]butanamide
PubChem CID55840604
Molecular FormulaC23H30ClN3O2
Molecular Weight415.97 g/mol
Exact Mass415.20
IUPAC Name4-(4-chlorophenoxy)-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]butanamide
SMILESCN1CCN(Cc2ccc(CNC(=O)CCCOc3ccc(Cl)cc3)cc2)CC1
InChIInChI=1S/C23H30ClN3O2/c1-26-12-14-27(15-13-26)18-20-6-4-19(5-7-20)17-25-23(28)3-2-16-29-22-10-8-21(24)9-11-22/h4-11H,2-3,12-18H2,1H3,(H,25,28)
InChIKeyMYJGWMKVXOUQPP-UHFFFAOYSA-N
XLogP3.56
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.97
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-(4-chlorophenoxy)-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]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-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-4-naphthalen-1-yloxybutanamide
CID 60514201
4-(4-methoxyphenoxy)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]butanamide
CID 27890430
2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-N-[(4-chlorophenyl)methyl]acetamide
CID 9260123
N-[(4-chlorophenyl)methyl]-2-(4-methylpiperazin-1-yl)acetamide
CID 8896530
3-(3-chloro-4-fluorophenoxy)-N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]propanamide
CID 47043112
2-(4-chlorophenoxy)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
CID 8544780
N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-N',N'-dipropylpentanediamide
CID 56546425
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-4-phenoxybutanamide
CID 110285273
2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 9260239
3-(4-fluorophenyl)-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]propanamide
CID 55841098
N-benzyl-2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]acetamide
CID 9260179
4-(2-ethoxyphenoxy)-N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]butanamide
CID 55746982

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenoxy)-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]butanamide?
The IUPAC name of 4-(4-chlorophenoxy)-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]butanamide (CID 55840604) is 4-(4-chlorophenoxy)-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]butanamide.
What is the SMILES notation for 4-(4-chlorophenoxy)-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]butanamide?
The canonical SMILES for 4-(4-chlorophenoxy)-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]butanamide is CN1CCN(Cc2ccc(CNC(=O)CCCOc3ccc(Cl)cc3)cc2)CC1.
What is the InChIKey of 4-(4-chlorophenoxy)-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]butanamide?
The InChIKey is MYJGWMKVXOUQPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30ClN3O2/c1-26-12-14-27(15-13-26)18-20-6-4-19(5-7-20)17-25-23(28)3-2-16-29-22-10-8-21(24)9-11-22/h4-11H,2-3,12-18H2,1H3,(H,25,28).
What are the key properties of 4-(4-chlorophenoxy)-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]butanamide?
4-(4-chlorophenoxy)-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]butanamide has a molecular weight of 415.97 g/mol, XLogP of 3.56, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenoxy)-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]butanamide is sourced from PubChem (CID 55840604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).