1-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]propan-1-one

C16H22N2O4 — CID 32823717

IUPAC1-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(C(=O)c2cc(OC)cc(OC)c2)CC1
InChIInChI=1S/C16H22N2O4/c1-4-15(19)17-5-7-18(8-6-17)16(20)12-9-13(21-2)11-14(10-12)22-3/h9-11H,4-8H2,1-3H3
InChIKeyRIOJOJHEQOTFEV-UHFFFAOYSA-N
MW306.36 g/mol
LogP1.40
Rot. Bonds4

About 1-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]propan-1-one

1-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]propan-1-one (PubChem CID 32823717) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is 1-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]propan-1-one
PubChem CID32823717
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC Name1-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(C(=O)c2cc(OC)cc(OC)c2)CC1
InChIInChI=1S/C16H22N2O4/c1-4-15(19)17-5-7-18(8-6-17)16(20)12-9-13(21-2)11-14(10-12)22-3/h9-11H,4-8H2,1-3H3
InChIKeyRIOJOJHEQOTFEV-UHFFFAOYSA-N
XLogP1.40
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 32824583
4-(3,5-dimethoxybenzoyl)-N-propylpiperazine-1-carboxamide
CID 110365697
1-[4-(2,4,6-trimethoxybenzoyl)-1,4-diazepan-1-yl]propan-1-one
CID 110805814
(3,5-dimethoxyphenyl)-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone
CID 18152981
1-[4-(3,5-dimethoxybenzoyl)-1,4-diazepan-1-yl]-2-(4-ethoxyphenyl)ethanone
CID 108545109
2-anilino-1-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]ethanone;hydrochloride
CID 119710193
(3-amino-5-methoxyphenyl)-(4-ethylpiperazin-1-yl)methanone
CID 81090979
[4-(3,5-dichlorophenyl)piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone
CID 113080341
3-amino-1-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-3-phenylpropan-1-one;hydrochloride
CID 119949482
(3,5-dimethoxyphenyl)-[4-(1,3-dioxolan-2-ylmethyl)piperazin-1-yl]methanone
CID 122135627
1-[4-(3-bromo-4-methoxybenzoyl)piperazin-1-yl]propan-1-one
CID 110799749
N-carbamoyl-3-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]propanamide
CID 35155323

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 1-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]propan-1-one (CID 32823717) is 1-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 1-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]propan-1-one is CCC(=O)N1CCN(C(=O)c2cc(OC)cc(OC)c2)CC1.
What is the InChIKey of 1-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]propan-1-one?
The InChIKey is RIOJOJHEQOTFEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-4-15(19)17-5-7-18(8-6-17)16(20)12-9-13(21-2)11-14(10-12)22-3/h9-11H,4-8H2,1-3H3.
What are the key properties of 1-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]propan-1-one?
1-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]propan-1-one has a molecular weight of 306.36 g/mol, XLogP of 1.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 32823717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).