4-(4-methoxy-3-methylbenzoyl)-N-propylpiperazine-1-carboxamide

C17H25N3O3 — CID 110812267

IUPAC4-(4-methoxy-3-methylbenzoyl)-N-propylpiperazine-1-carboxamide
SMILESCCCNC(=O)N1CCN(C(=O)c2ccc(OC)c(C)c2)CC1
InChIInChI=1S/C17H25N3O3/c1-4-7-18-17(22)20-10-8-19(9-11-20)16(21)14-5-6-15(23-3)13(2)12-14/h5-6,12H,4,7-11H2,1-3H3,(H,18,22)
InChIKeyDCZCVMNZAXJALJ-UHFFFAOYSA-N
MW319.41 g/mol
LogP1.88
Rot. Bonds4

About 4-(4-methoxy-3-methylbenzoyl)-N-propylpiperazine-1-carboxamide

4-(4-methoxy-3-methylbenzoyl)-N-propylpiperazine-1-carboxamide (PubChem CID 110812267) has the molecular formula C17H25N3O3 and a molecular weight of 319.41 g/mol. Its IUPAC name is 4-(4-methoxy-3-methylbenzoyl)-N-propylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4-methoxy-3-methylbenzoyl)-N-propylpiperazine-1-carboxamide
PubChem CID110812267
Molecular FormulaC17H25N3O3
Molecular Weight319.41 g/mol
Exact Mass319.19
IUPAC Name4-(4-methoxy-3-methylbenzoyl)-N-propylpiperazine-1-carboxamide
SMILESCCCNC(=O)N1CCN(C(=O)c2ccc(OC)c(C)c2)CC1
InChIInChI=1S/C17H25N3O3/c1-4-7-18-17(22)20-10-8-19(9-11-20)16(21)14-5-6-15(23-3)13(2)12-14/h5-6,12H,4,7-11H2,1-3H3,(H,18,22)
InChIKeyDCZCVMNZAXJALJ-UHFFFAOYSA-N
XLogP1.88
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(4-methoxy-3-methylbenzoyl)piperazin-1-yl]ethanone
CID 110761022
4-(3,5-dimethoxybenzoyl)-N-propylpiperazine-1-carboxamide
CID 110365697
4-(2-methoxy-4,5-dimethylbenzoyl)-N-propyl-1,4-diazepane-1-carboxamide
CID 110813465
4-(2-methoxy-4,6-dimethylbenzoyl)-N-propylpiperazine-1-carboxamide
CID 110812720
4-(4-methoxy-2,3-dimethylbenzoyl)-N-propyl-1,4-diazepane-1-carboxamide
CID 110813604
4-(5-chloro-4-methoxy-2-methylbenzoyl)-N-propyl-1,4-diazepane-1-carboxamide
CID 110813528
4-(4-ethoxy-2,5-dimethylbenzoyl)-N-propylpiperazine-1-carboxamide
CID 110812410
4-(2,5-dimethoxybenzoyl)-N-propyl-1,4-diazepane-1-carboxamide
CID 110813383
(4-cyclopropylidenepiperidin-1-yl)-(4-methoxy-3-methylphenyl)methanone
CID 121187072
4-(4-ethoxybenzoyl)-N-propylpiperazine-1-carboxamide
CID 110812417
(4-hydroxypiperidin-1-yl)-(4-methoxy-3-methylphenyl)methanone
CID 82480569
N-butyl-2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]acetamide
CID 18163310

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxy-3-methylbenzoyl)-N-propylpiperazine-1-carboxamide?
The IUPAC name of 4-(4-methoxy-3-methylbenzoyl)-N-propylpiperazine-1-carboxamide (CID 110812267) is 4-(4-methoxy-3-methylbenzoyl)-N-propylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(4-methoxy-3-methylbenzoyl)-N-propylpiperazine-1-carboxamide?
The canonical SMILES for 4-(4-methoxy-3-methylbenzoyl)-N-propylpiperazine-1-carboxamide is CCCNC(=O)N1CCN(C(=O)c2ccc(OC)c(C)c2)CC1.
What is the InChIKey of 4-(4-methoxy-3-methylbenzoyl)-N-propylpiperazine-1-carboxamide?
The InChIKey is DCZCVMNZAXJALJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-4-7-18-17(22)20-10-8-19(9-11-20)16(21)14-5-6-15(23-3)13(2)12-14/h5-6,12H,4,7-11H2,1-3H3,(H,18,22).
What are the key properties of 4-(4-methoxy-3-methylbenzoyl)-N-propylpiperazine-1-carboxamide?
4-(4-methoxy-3-methylbenzoyl)-N-propylpiperazine-1-carboxamide has a molecular weight of 319.41 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxy-3-methylbenzoyl)-N-propylpiperazine-1-carboxamide is sourced from PubChem (CID 110812267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).