4-(4-ethoxybenzoyl)-N-propylpiperazine-1-carboxamide

C17H25N3O3 — CID 110812417

IUPAC4-(4-ethoxybenzoyl)-N-propylpiperazine-1-carboxamide
SMILESCCCNC(=O)N1CCN(C(=O)c2ccc(OCC)cc2)CC1
InChIInChI=1S/C17H25N3O3/c1-3-9-18-17(22)20-12-10-19(11-13-20)16(21)14-5-7-15(8-6-14)23-4-2/h5-8H,3-4,9-13H2,1-2H3,(H,18,22)
InChIKeyACZGJVNBABSNNY-UHFFFAOYSA-N
MW319.41 g/mol
LogP1.96
Rot. Bonds5

About 4-(4-ethoxybenzoyl)-N-propylpiperazine-1-carboxamide

4-(4-ethoxybenzoyl)-N-propylpiperazine-1-carboxamide (PubChem CID 110812417) has the molecular formula C17H25N3O3 and a molecular weight of 319.41 g/mol. Its IUPAC name is 4-(4-ethoxybenzoyl)-N-propylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4-ethoxybenzoyl)-N-propylpiperazine-1-carboxamide
PubChem CID110812417
Molecular FormulaC17H25N3O3
Molecular Weight319.41 g/mol
Exact Mass319.19
IUPAC Name4-(4-ethoxybenzoyl)-N-propylpiperazine-1-carboxamide
SMILESCCCNC(=O)N1CCN(C(=O)c2ccc(OCC)cc2)CC1
InChIInChI=1S/C17H25N3O3/c1-3-9-18-17(22)20-12-10-19(11-13-20)16(21)14-5-7-15(8-6-14)23-4-2/h5-8H,3-4,9-13H2,1-2H3,(H,18,22)
InChIKeyACZGJVNBABSNNY-UHFFFAOYSA-N
XLogP1.96
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(4-ethoxybenzoyl)-N-propylpiperazine-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

aziridin-1-yl-(4-ethoxyphenyl)methanone
CID 121216936
4-(4-acetamidobenzoyl)-N-propylpiperazine-1-carboxamide
CID 110812235
4-(3,5-dimethoxybenzoyl)-N-propylpiperazine-1-carboxamide
CID 110365697
N-propyl-2-[[4-(pyrrolidine-1-carbonyl)phenoxy]methyl]pyrrolidine-1-carboxamide
CID 163340085
N-butyl-4-(4-ethoxyphenyl)piperazine-1-carboxamide
CID 113103898
1-[4-(4-ethoxybenzoyl)piperazin-1-yl]prop-2-en-1-one
CID 172888753
(4-ethoxyphenyl)-(4-propylsulfonylpiperazin-1-yl)methanone
CID 110804828
4-[2-(4-methylphenoxy)acetyl]-N-propylpiperazine-1-carboxamide
CID 110365950
4-(4-methoxy-3-methylbenzoyl)-N-propylpiperazine-1-carboxamide
CID 110812267
4-(4-ethoxy-2,5-dimethylbenzoyl)-N-propylpiperazine-1-carboxamide
CID 110812410
N-propyl-4-(4-pyrrol-1-ylbenzoyl)-1,4-diazepane-1-carboxamide
CID 110813322
[4-(2-bromoethyl)piperazin-1-yl]-(4-ethoxyphenyl)methanone
CID 80661218

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxybenzoyl)-N-propylpiperazine-1-carboxamide?
The IUPAC name of 4-(4-ethoxybenzoyl)-N-propylpiperazine-1-carboxamide (CID 110812417) is 4-(4-ethoxybenzoyl)-N-propylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(4-ethoxybenzoyl)-N-propylpiperazine-1-carboxamide?
The canonical SMILES for 4-(4-ethoxybenzoyl)-N-propylpiperazine-1-carboxamide is CCCNC(=O)N1CCN(C(=O)c2ccc(OCC)cc2)CC1.
What is the InChIKey of 4-(4-ethoxybenzoyl)-N-propylpiperazine-1-carboxamide?
The InChIKey is ACZGJVNBABSNNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-3-9-18-17(22)20-12-10-19(11-13-20)16(21)14-5-7-15(8-6-14)23-4-2/h5-8H,3-4,9-13H2,1-2H3,(H,18,22).
What are the key properties of 4-(4-ethoxybenzoyl)-N-propylpiperazine-1-carboxamide?
4-(4-ethoxybenzoyl)-N-propylpiperazine-1-carboxamide has a molecular weight of 319.41 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxybenzoyl)-N-propylpiperazine-1-carboxamide is sourced from PubChem (CID 110812417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).