N-[2-[3-[4-[2-(6-chlorohexoxy)ethyl]piperazin-1-yl]propoxy]ethyl]pentanamide

C22H44ClN3O3 — CID 170630354

IUPACN-[2-[3-[4-[2-(6-chlorohexoxy)ethyl]piperazin-1-yl]propoxy]ethyl]pentanamide
SMILESCCCCC(=O)NCCOCCCN1CCN(CCOCCCCCCCl)CC1
InChIInChI=1S/C22H44ClN3O3/c1-2-3-9-22(27)24-11-20-28-19-8-12-25-13-15-26(16-14-25)17-21-29-18-7-5-4-6-10-23/h2-21H2,1H3,(H,24,27)
InChIKeyDMCXJOJCOQVNCJ-UHFFFAOYSA-N
MW434.07 g/mol
LogP3.13
Rot. Bonds19

About N-[2-[3-[4-[2-(6-chlorohexoxy)ethyl]piperazin-1-yl]propoxy]ethyl]pentanamide

N-[2-[3-[4-[2-(6-chlorohexoxy)ethyl]piperazin-1-yl]propoxy]ethyl]pentanamide (PubChem CID 170630354) has the molecular formula C22H44ClN3O3 and a molecular weight of 434.07 g/mol. Its IUPAC name is N-[2-[3-[4-[2-(6-chlorohexoxy)ethyl]piperazin-1-yl]propoxy]ethyl]pentanamide.

Molecular Properties

Compound NameN-[2-[3-[4-[2-(6-chlorohexoxy)ethyl]piperazin-1-yl]propoxy]ethyl]pentanamide
PubChem CID170630354
Molecular FormulaC22H44ClN3O3
Molecular Weight434.07 g/mol
Exact Mass433.31
IUPAC NameN-[2-[3-[4-[2-(6-chlorohexoxy)ethyl]piperazin-1-yl]propoxy]ethyl]pentanamide
SMILESCCCCC(=O)NCCOCCCN1CCN(CCOCCCCCCCl)CC1
InChIInChI=1S/C22H44ClN3O3/c1-2-3-9-22(27)24-11-20-28-19-8-12-25-13-15-26(16-14-25)17-21-29-18-7-5-4-6-10-23/h2-21H2,1H3,(H,24,27)
InChIKeyDMCXJOJCOQVNCJ-UHFFFAOYSA-N
XLogP3.13
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds19
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.07
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[2-[3-[4-[2-(6-chlorohexoxy)ethyl]piperazin-1-yl]propoxy]ethyl]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-[2-[2-(6-chlorohexoxy)ethoxy]ethyl]decanamide
CID 129058822
N-[2-[2-[2-(4-methylpiperazin-1-yl)ethoxy]ethoxy]ethyl]butanamide;molecular hydrogen
CID 155582806
N-[3-[4-[3-(octadecanoylamino)propyl]piperazin-1-yl]propyl]octadecanamide
CID 54494521
N-[3-(4-ethylpiperazin-1-yl)propyl]pentanamide
CID 144835640
N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pentanamide
CID 134259653
N-[2-[2-[2-[2-(propanoylamino)ethoxy]ethoxy]ethoxy]ethyl]pentanamide
CID 167513156
N-[2-[2-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]propanamide
CID 155751864
1-(2-butoxyethyl)-4-(2-chloroethyl)piperazine
CID 63386670
N-ethynyl-12-[2-(pentanoylamino)ethoxy]dodecanamide
CID 129273063
1-(5-chloropentyl)-4-pentylpiperazine
CID 67898434
N-[2-(3-methylbutoxy)ethyl]-18-[4-(3-methylbutyl)piperazin-1-yl]-14-oxooctadecanamide
CID 159006304
N-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-octadecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-16-sulfanylhexadecanamide
CID 101129520

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[4-[2-(6-chlorohexoxy)ethyl]piperazin-1-yl]propoxy]ethyl]pentanamide?
The IUPAC name of N-[2-[3-[4-[2-(6-chlorohexoxy)ethyl]piperazin-1-yl]propoxy]ethyl]pentanamide (CID 170630354) is N-[2-[3-[4-[2-(6-chlorohexoxy)ethyl]piperazin-1-yl]propoxy]ethyl]pentanamide.
What is the SMILES notation for N-[2-[3-[4-[2-(6-chlorohexoxy)ethyl]piperazin-1-yl]propoxy]ethyl]pentanamide?
The canonical SMILES for N-[2-[3-[4-[2-(6-chlorohexoxy)ethyl]piperazin-1-yl]propoxy]ethyl]pentanamide is CCCCC(=O)NCCOCCCN1CCN(CCOCCCCCCCl)CC1.
What is the InChIKey of N-[2-[3-[4-[2-(6-chlorohexoxy)ethyl]piperazin-1-yl]propoxy]ethyl]pentanamide?
The InChIKey is DMCXJOJCOQVNCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44ClN3O3/c1-2-3-9-22(27)24-11-20-28-19-8-12-25-13-15-26(16-14-25)17-21-29-18-7-5-4-6-10-23/h2-21H2,1H3,(H,24,27).
What are the key properties of N-[2-[3-[4-[2-(6-chlorohexoxy)ethyl]piperazin-1-yl]propoxy]ethyl]pentanamide?
N-[2-[3-[4-[2-(6-chlorohexoxy)ethyl]piperazin-1-yl]propoxy]ethyl]pentanamide has a molecular weight of 434.07 g/mol, XLogP of 3.13, 19 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-[4-[2-(6-chlorohexoxy)ethyl]piperazin-1-yl]propoxy]ethyl]pentanamide is sourced from PubChem (CID 170630354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).