4-(4-ethoxy-2,5-dimethylbenzoyl)-N-propylpiperazine-1-carboxamide

C19H29N3O3 — CID 110812410

IUPAC4-(4-ethoxy-2,5-dimethylbenzoyl)-N-propylpiperazine-1-carboxamide
SMILESCCCNC(=O)N1CCN(C(=O)c2cc(C)c(OCC)cc2C)CC1
InChIInChI=1S/C19H29N3O3/c1-5-7-20-19(24)22-10-8-21(9-11-22)18(23)16-12-15(4)17(25-6-2)13-14(16)3/h12-13H,5-11H2,1-4H3,(H,20,24)
InChIKeyQYNRZRNLUAKRKU-UHFFFAOYSA-N
MW347.46 g/mol
LogP2.58
Rot. Bonds5

About 4-(4-ethoxy-2,5-dimethylbenzoyl)-N-propylpiperazine-1-carboxamide

4-(4-ethoxy-2,5-dimethylbenzoyl)-N-propylpiperazine-1-carboxamide (PubChem CID 110812410) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is 4-(4-ethoxy-2,5-dimethylbenzoyl)-N-propylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4-ethoxy-2,5-dimethylbenzoyl)-N-propylpiperazine-1-carboxamide
PubChem CID110812410
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name4-(4-ethoxy-2,5-dimethylbenzoyl)-N-propylpiperazine-1-carboxamide
SMILESCCCNC(=O)N1CCN(C(=O)c2cc(C)c(OCC)cc2C)CC1
InChIInChI=1S/C19H29N3O3/c1-5-7-20-19(24)22-10-8-21(9-11-22)18(23)16-12-15(4)17(25-6-2)13-14(16)3/h12-13H,5-11H2,1-4H3,(H,20,24)
InChIKeyQYNRZRNLUAKRKU-UHFFFAOYSA-N
XLogP2.58
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-ethoxy-2,5-dimethylphenyl)-(4-ethylpiperazin-1-yl)methanone
CID 110761648
4-(2-methoxy-4,5-dimethylbenzoyl)-N-propyl-1,4-diazepane-1-carboxamide
CID 110813465
(4-ethoxy-2,5-dimethylphenyl)-piperidin-1-ylmethanone
CID 110761639
ethyl 4-(4-ethoxy-2,5-dimethylbenzoyl)-1,4-diazepane-1-carboxylate
CID 110808979
4-(5-chloro-4-methoxy-2-methylbenzoyl)-N-propyl-1,4-diazepane-1-carboxamide
CID 110813528
4-(4-methoxy-3-methylbenzoyl)-N-propylpiperazine-1-carboxamide
CID 110812267
(4-ethoxy-2,5-dimethylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 110761665
2-(4-ethoxy-2,5-dimethylphenyl)-2-oxo-N-propylacetamide
CID 94275424
[4-(4-ethoxy-2,5-dimethylbenzoyl)piperazin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 110815160
4-(4-ethoxybenzoyl)-N-propylpiperazine-1-carboxamide
CID 110812417
[4-(4-ethoxy-2,5-dimethylbenzoyl)piperazin-1-yl]-(1H-pyrrol-3-yl)methanone
CID 110815159
[4-(4-ethoxy-2,5-dimethylbenzoyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 110801945

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxy-2,5-dimethylbenzoyl)-N-propylpiperazine-1-carboxamide?
The IUPAC name of 4-(4-ethoxy-2,5-dimethylbenzoyl)-N-propylpiperazine-1-carboxamide (CID 110812410) is 4-(4-ethoxy-2,5-dimethylbenzoyl)-N-propylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(4-ethoxy-2,5-dimethylbenzoyl)-N-propylpiperazine-1-carboxamide?
The canonical SMILES for 4-(4-ethoxy-2,5-dimethylbenzoyl)-N-propylpiperazine-1-carboxamide is CCCNC(=O)N1CCN(C(=O)c2cc(C)c(OCC)cc2C)CC1.
What is the InChIKey of 4-(4-ethoxy-2,5-dimethylbenzoyl)-N-propylpiperazine-1-carboxamide?
The InChIKey is QYNRZRNLUAKRKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-5-7-20-19(24)22-10-8-21(9-11-22)18(23)16-12-15(4)17(25-6-2)13-14(16)3/h12-13H,5-11H2,1-4H3,(H,20,24).
What are the key properties of 4-(4-ethoxy-2,5-dimethylbenzoyl)-N-propylpiperazine-1-carboxamide?
4-(4-ethoxy-2,5-dimethylbenzoyl)-N-propylpiperazine-1-carboxamide has a molecular weight of 347.46 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxy-2,5-dimethylbenzoyl)-N-propylpiperazine-1-carboxamide is sourced from PubChem (CID 110812410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).