N-(3-piperazin-1-ylpropyl)-2-(3-propan-2-ylphenoxy)acetamide

C18H29N3O2 — CID 119394347

IUPACN-(3-piperazin-1-ylpropyl)-2-(3-propan-2-ylphenoxy)acetamide
SMILESCC(C)c1cccc(OCC(=O)NCCCN2CCNCC2)c1
InChIInChI=1S/C18H29N3O2/c1-15(2)16-5-3-6-17(13-16)23-14-18(22)20-7-4-10-21-11-8-19-9-12-21/h3,5-6,13,15,19H,4,7-12,14H2,1-2H3,(H,20,22)
InChIKeyLXCPSSANKOWWSW-UHFFFAOYSA-N
MW319.45 g/mol
LogP1.60
Rot. Bonds8

About N-(3-piperazin-1-ylpropyl)-2-(3-propan-2-ylphenoxy)acetamide

N-(3-piperazin-1-ylpropyl)-2-(3-propan-2-ylphenoxy)acetamide (PubChem CID 119394347) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is N-(3-piperazin-1-ylpropyl)-2-(3-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-(3-piperazin-1-ylpropyl)-2-(3-propan-2-ylphenoxy)acetamide
PubChem CID119394347
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC NameN-(3-piperazin-1-ylpropyl)-2-(3-propan-2-ylphenoxy)acetamide
SMILESCC(C)c1cccc(OCC(=O)NCCCN2CCNCC2)c1
InChIInChI=1S/C18H29N3O2/c1-15(2)16-5-3-6-17(13-16)23-14-18(22)20-7-4-10-21-11-8-19-9-12-21/h3,5-6,13,15,19H,4,7-12,14H2,1-2H3,(H,20,22)
InChIKeyLXCPSSANKOWWSW-UHFFFAOYSA-N
XLogP1.60
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(3-piperazin-1-ylpropyl)-2-(3-propan-2-ylphenoxy)acetamide 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

2-(3-propan-2-ylphenoxy)-N-propylacetamide
CID 60624182
4-[2-oxo-2-(3-piperazin-1-ylpropylamino)ethoxy]benzamide
CID 119392706
N-[3-[2-oxo-2-(3-piperazin-1-ylpropylamino)ethoxy]phenyl]furan-2-carboxamide;hydrochloride
CID 119392955
2-(3-methylphenoxy)-N-(3-piperazin-1-ylpropyl)butanamide
CID 119393618
3-(3-methoxyphenyl)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride
CID 119393865
2-(2-tert-butylphenoxy)-N-(3-piperazin-1-ylpropyl)acetamide
CID 119392853
2-[(2-phenoxyacetyl)amino]-N-(2-piperazin-1-ylethyl)acetamide
CID 119447721
2-phenoxy-N-(3-piperazin-1-ylpropyl)propanamide
CID 119394204
2-(2-fluorophenoxy)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 119392768
3-(3-methoxypropoxy)-N-(3-piperazin-1-ylpropyl)benzamide
CID 119391567
2-[3-[(2-methylphenyl)methoxy]phenyl]-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 119390993
2-(3-acetylphenoxy)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride
CID 119391090

Frequently Asked Questions

What is the IUPAC name of N-(3-piperazin-1-ylpropyl)-2-(3-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-(3-piperazin-1-ylpropyl)-2-(3-propan-2-ylphenoxy)acetamide (CID 119394347) is N-(3-piperazin-1-ylpropyl)-2-(3-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-(3-piperazin-1-ylpropyl)-2-(3-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-(3-piperazin-1-ylpropyl)-2-(3-propan-2-ylphenoxy)acetamide is CC(C)c1cccc(OCC(=O)NCCCN2CCNCC2)c1.
What is the InChIKey of N-(3-piperazin-1-ylpropyl)-2-(3-propan-2-ylphenoxy)acetamide?
The InChIKey is LXCPSSANKOWWSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-15(2)16-5-3-6-17(13-16)23-14-18(22)20-7-4-10-21-11-8-19-9-12-21/h3,5-6,13,15,19H,4,7-12,14H2,1-2H3,(H,20,22).
What are the key properties of N-(3-piperazin-1-ylpropyl)-2-(3-propan-2-ylphenoxy)acetamide?
N-(3-piperazin-1-ylpropyl)-2-(3-propan-2-ylphenoxy)acetamide has a molecular weight of 319.45 g/mol, XLogP of 1.60, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-piperazin-1-ylpropyl)-2-(3-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 119394347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).