4-(3,5-dimethoxybenzoyl)-N-propylpiperazine-1-carboxamide

C17H25N3O4 — CID 110365697

IUPAC4-(3,5-dimethoxybenzoyl)-N-propylpiperazine-1-carboxamide
SMILESCCCNC(=O)N1CCN(C(=O)c2cc(OC)cc(OC)c2)CC1
InChIInChI=1S/C17H25N3O4/c1-4-5-18-17(22)20-8-6-19(7-9-20)16(21)13-10-14(23-2)12-15(11-13)24-3/h10-12H,4-9H2,1-3H3,(H,18,22)
InChIKeyQFYAHIFZMYNOOO-UHFFFAOYSA-N
MW335.40 g/mol
LogP1.58
Rot. Bonds5

About 4-(3,5-dimethoxybenzoyl)-N-propylpiperazine-1-carboxamide

4-(3,5-dimethoxybenzoyl)-N-propylpiperazine-1-carboxamide (PubChem CID 110365697) has the molecular formula C17H25N3O4 and a molecular weight of 335.40 g/mol. Its IUPAC name is 4-(3,5-dimethoxybenzoyl)-N-propylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3,5-dimethoxybenzoyl)-N-propylpiperazine-1-carboxamide
PubChem CID110365697
Molecular FormulaC17H25N3O4
Molecular Weight335.40 g/mol
Exact Mass335.18
IUPAC Name4-(3,5-dimethoxybenzoyl)-N-propylpiperazine-1-carboxamide
SMILESCCCNC(=O)N1CCN(C(=O)c2cc(OC)cc(OC)c2)CC1
InChIInChI=1S/C17H25N3O4/c1-4-5-18-17(22)20-8-6-19(7-9-20)16(21)13-10-14(23-2)12-15(11-13)24-3/h10-12H,4-9H2,1-3H3,(H,18,22)
InChIKeyQFYAHIFZMYNOOO-UHFFFAOYSA-N
XLogP1.58
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-methoxy-3-methylbenzoyl)-N-propylpiperazine-1-carboxamide
CID 110812267
1-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]propan-1-one
CID 32823717
4-(4-ethoxybenzoyl)-N-propylpiperazine-1-carboxamide
CID 110812417
4-(2,5-dimethoxybenzoyl)-N-propyl-1,4-diazepane-1-carboxamide
CID 110813383
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-acetamidobenzoyl)-N-propylpiperazine-1-carboxamide
CID 110812235
(3-amino-5-methoxyphenyl)-(4-ethylpiperazin-1-yl)methanone
CID 81090979
4-[2-(3-methoxyphenyl)acetyl]-N-propylpiperazine-1-carboxamide
CID 110811012
(3,5-dimethoxyphenyl)-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone
CID 18152981
1-(3,5-dimethoxybenzoyl)-N-[2-(ethylamino)ethyl]piperidine-4-carboxamide
CID 119507447
N-[2-(3,5-dimethoxyphenoxy)ethyl]piperidine-1-carboxamide
CID 112975604

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethoxybenzoyl)-N-propylpiperazine-1-carboxamide?
The IUPAC name of 4-(3,5-dimethoxybenzoyl)-N-propylpiperazine-1-carboxamide (CID 110365697) is 4-(3,5-dimethoxybenzoyl)-N-propylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(3,5-dimethoxybenzoyl)-N-propylpiperazine-1-carboxamide?
The canonical SMILES for 4-(3,5-dimethoxybenzoyl)-N-propylpiperazine-1-carboxamide is CCCNC(=O)N1CCN(C(=O)c2cc(OC)cc(OC)c2)CC1.
What is the InChIKey of 4-(3,5-dimethoxybenzoyl)-N-propylpiperazine-1-carboxamide?
The InChIKey is QFYAHIFZMYNOOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O4/c1-4-5-18-17(22)20-8-6-19(7-9-20)16(21)13-10-14(23-2)12-15(11-13)24-3/h10-12H,4-9H2,1-3H3,(H,18,22).
What are the key properties of 4-(3,5-dimethoxybenzoyl)-N-propylpiperazine-1-carboxamide?
4-(3,5-dimethoxybenzoyl)-N-propylpiperazine-1-carboxamide has a molecular weight of 335.40 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethoxybenzoyl)-N-propylpiperazine-1-carboxamide is sourced from PubChem (CID 110365697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).