2-[4-(2,5-dimethoxybenzoyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone

C19H27N3O4 — CID 17471888

IUPAC2-[4-(2,5-dimethoxybenzoyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
SMILESCOc1ccc(OC)c(C(=O)N2CCN(CC(=O)N3CCCC3)CC2)c1
InChIInChI=1S/C19H27N3O4/c1-25-15-5-6-17(26-2)16(13-15)19(24)22-11-9-20(10-12-22)14-18(23)21-7-3-4-8-21/h5-6,13H,3-4,7-12,14H2,1-2H3
InChIKeyLUOCENMEJJNUAC-UHFFFAOYSA-N
MW361.44 g/mol
LogP1.08
Rot. Bonds5

About 2-[4-(2,5-dimethoxybenzoyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone

2-[4-(2,5-dimethoxybenzoyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone (PubChem CID 17471888) has the molecular formula C19H27N3O4 and a molecular weight of 361.44 g/mol. Its IUPAC name is 2-[4-(2,5-dimethoxybenzoyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[4-(2,5-dimethoxybenzoyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
PubChem CID17471888
Molecular FormulaC19H27N3O4
Molecular Weight361.44 g/mol
Exact Mass361.20
IUPAC Name2-[4-(2,5-dimethoxybenzoyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
SMILESCOc1ccc(OC)c(C(=O)N2CCN(CC(=O)N3CCCC3)CC2)c1
InChIInChI=1S/C19H27N3O4/c1-25-15-5-6-17(26-2)16(13-15)19(24)22-11-9-20(10-12-22)14-18(23)21-7-3-4-8-21/h5-6,13H,3-4,7-12,14H2,1-2H3
InChIKeyLUOCENMEJJNUAC-UHFFFAOYSA-N
XLogP1.08
TPSA62.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(azepan-1-yl)-2-[4-(2-fluoro-4-methoxybenzoyl)piperazin-1-yl]ethanone
CID 86911352
2-[4-(4-methoxynaphthalene-1-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 43045464
cyclopentyl-[4-(2,5-dimethoxybenzoyl)-1,4-diazepan-1-yl]methanone
CID 110807480
N-butyl-2-[4-(2,5-dimethoxybenzoyl)piperazin-1-yl]acetamide
CID 18163262
2-(aziridin-1-yl)-1-(2,5-dimethoxyphenyl)ethanone
CID 94683814
(2,5-dimethoxyphenyl)-(4-ethylsulfonyl-1,4-diazepan-1-yl)methanone
CID 110810052
2-[4-(2-bromo-5-methoxybenzoyl)piperazin-1-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone
CID 57442537
(2,5-dimethoxyphenyl)-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 18115973
4-(2,5-dimethoxybenzoyl)-N-propyl-1,4-diazepane-1-carboxamide
CID 110813383
1-(2,5-dimethoxyphenyl)-4-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 55576207
2-(2,5-dimethoxyphenyl)-1-pyrrolidin-1-ylethanone
CID 30147939
(2,5-dimethoxyphenyl)-piperidin-1-ylmethanethione
CID 888600

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,5-dimethoxybenzoyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[4-(2,5-dimethoxybenzoyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone (CID 17471888) is 2-[4-(2,5-dimethoxybenzoyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[4-(2,5-dimethoxybenzoyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[4-(2,5-dimethoxybenzoyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone is COc1ccc(OC)c(C(=O)N2CCN(CC(=O)N3CCCC3)CC2)c1.
What is the InChIKey of 2-[4-(2,5-dimethoxybenzoyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone?
The InChIKey is LUOCENMEJJNUAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O4/c1-25-15-5-6-17(26-2)16(13-15)19(24)22-11-9-20(10-12-22)14-18(23)21-7-3-4-8-21/h5-6,13H,3-4,7-12,14H2,1-2H3.
What are the key properties of 2-[4-(2,5-dimethoxybenzoyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone?
2-[4-(2,5-dimethoxybenzoyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone has a molecular weight of 361.44 g/mol, XLogP of 1.08, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,5-dimethoxybenzoyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 17471888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).