4-(2-hydroxyethyl)-N-[3-(4-methylphenoxy)propyl]piperazine-1-carboxamide

C17H27N3O3 — CID 108881347

IUPAC4-(2-hydroxyethyl)-N-[3-(4-methylphenoxy)propyl]piperazine-1-carboxamide
SMILESCc1ccc(OCCCNC(=O)N2CCN(CCO)CC2)cc1
InChIInChI=1S/C17H27N3O3/c1-15-3-5-16(6-4-15)23-14-2-7-18-17(22)20-10-8-19(9-11-20)12-13-21/h3-6,21H,2,7-14H2,1H3,(H,18,22)
InChIKeyMHBCRRDXUMZRGB-UHFFFAOYSA-N
MW321.42 g/mol
LogP1.08
Rot. Bonds7

About 4-(2-hydroxyethyl)-N-[3-(4-methylphenoxy)propyl]piperazine-1-carboxamide

4-(2-hydroxyethyl)-N-[3-(4-methylphenoxy)propyl]piperazine-1-carboxamide (PubChem CID 108881347) has the molecular formula C17H27N3O3 and a molecular weight of 321.42 g/mol. Its IUPAC name is 4-(2-hydroxyethyl)-N-[3-(4-methylphenoxy)propyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-hydroxyethyl)-N-[3-(4-methylphenoxy)propyl]piperazine-1-carboxamide
PubChem CID108881347
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC Name4-(2-hydroxyethyl)-N-[3-(4-methylphenoxy)propyl]piperazine-1-carboxamide
SMILESCc1ccc(OCCCNC(=O)N2CCN(CCO)CC2)cc1
InChIInChI=1S/C17H27N3O3/c1-15-3-5-16(6-4-15)23-14-2-7-18-17(22)20-10-8-19(9-11-20)12-13-21/h3-6,21H,2,7-14H2,1H3,(H,18,22)
InChIKeyMHBCRRDXUMZRGB-UHFFFAOYSA-N
XLogP1.08
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(2-hydroxyethyl)-N-[3-(4-methylphenoxy)propyl]piperazine-1-carboxamide 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

methyl 4-[3-(4-methylphenoxy)propylcarbamoyl]piperazine-1-carboxylate
CID 108881529
N-[3-(4-methylphenoxy)propyl]azepane-1-carboxamide
CID 108881332
N-[2-(4-methylphenoxy)ethyl]azepane-1-carboxamide
CID 112970074
N-[(3,4-dimethylphenoxy)methyl]-4-(2-hydroxyethyl)piperazine-1-carboxamide
CID 108879128
N-butyl-4-[2-[4-(1H-pyrazol-5-yl)phenoxy]ethyl]piperazine-1-carboxamide
CID 10361872
4-[2-(4-methylphenoxy)acetyl]-N-propylpiperazine-1-carboxamide
CID 110365950
4-[2-(4-methylphenoxy)ethyl]-N-phenylpiperazine-1-carboxamide
CID 110638151
4-(2-hydroxyethyl)-N-(2-methoxyethyl)piperazine-1-carboxamide
CID 108890532
4-benzyl-N-(3-phenoxypropyl)piperazine-1-carboxamide
CID 108883110
N-[3-(4-tert-butylphenoxy)propyl]pyrrolidine-1-carboxamide
CID 108882798
N-[3-(4-methylphenoxy)propyl]acetamide
CID 58966904
4-ethyl-N-[2-(4-propan-2-ylphenoxy)ethyl]piperazine-1-carboxamide
CID 112972518

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyethyl)-N-[3-(4-methylphenoxy)propyl]piperazine-1-carboxamide?
The IUPAC name of 4-(2-hydroxyethyl)-N-[3-(4-methylphenoxy)propyl]piperazine-1-carboxamide (CID 108881347) is 4-(2-hydroxyethyl)-N-[3-(4-methylphenoxy)propyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(2-hydroxyethyl)-N-[3-(4-methylphenoxy)propyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(2-hydroxyethyl)-N-[3-(4-methylphenoxy)propyl]piperazine-1-carboxamide is Cc1ccc(OCCCNC(=O)N2CCN(CCO)CC2)cc1.
What is the InChIKey of 4-(2-hydroxyethyl)-N-[3-(4-methylphenoxy)propyl]piperazine-1-carboxamide?
The InChIKey is MHBCRRDXUMZRGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3/c1-15-3-5-16(6-4-15)23-14-2-7-18-17(22)20-10-8-19(9-11-20)12-13-21/h3-6,21H,2,7-14H2,1H3,(H,18,22).
What are the key properties of 4-(2-hydroxyethyl)-N-[3-(4-methylphenoxy)propyl]piperazine-1-carboxamide?
4-(2-hydroxyethyl)-N-[3-(4-methylphenoxy)propyl]piperazine-1-carboxamide has a molecular weight of 321.42 g/mol, XLogP of 1.08, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethyl)-N-[3-(4-methylphenoxy)propyl]piperazine-1-carboxamide is sourced from PubChem (CID 108881347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).