[4-[[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]methyl]phenyl]-pyrrolidin-1-ylmethanone

C25H31N3O4 — CID 32641638

IUPAC[4-[[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]methyl]phenyl]-pyrrolidin-1-ylmethanone
SMILESCOc1ccc(C(=O)N2CCN(Cc3ccc(C(=O)N4CCCC4)cc3)CC2)cc1OC
InChIInChI=1S/C25H31N3O4/c1-31-22-10-9-21(17-23(22)32-2)25(30)28-15-13-26(14-16-28)18-19-5-7-20(8-6-19)24(29)27-11-3-4-12-27/h5-10,17H,3-4,11-16,18H2,1-2H3
InChIKeyUTOYDSZHDCZNTD-UHFFFAOYSA-N
MW437.54 g/mol
LogP2.90
Rot. Bonds6

About [4-[[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]methyl]phenyl]-pyrrolidin-1-ylmethanone

[4-[[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]methyl]phenyl]-pyrrolidin-1-ylmethanone (PubChem CID 32641638) has the molecular formula C25H31N3O4 and a molecular weight of 437.54 g/mol. Its IUPAC name is [4-[[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]methyl]phenyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[4-[[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]methyl]phenyl]-pyrrolidin-1-ylmethanone
PubChem CID32641638
Molecular FormulaC25H31N3O4
Molecular Weight437.54 g/mol
Exact Mass437.23
IUPAC Name[4-[[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]methyl]phenyl]-pyrrolidin-1-ylmethanone
SMILESCOc1ccc(C(=O)N2CCN(Cc3ccc(C(=O)N4CCCC4)cc3)CC2)cc1OC
InChIInChI=1S/C25H31N3O4/c1-31-22-10-9-21(17-23(22)32-2)25(30)28-15-13-26(14-16-28)18-19-5-7-20(8-6-19)24(29)27-11-3-4-12-27/h5-10,17H,3-4,11-16,18H2,1-2H3
InChIKeyUTOYDSZHDCZNTD-UHFFFAOYSA-N
XLogP2.90
TPSA62.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.54
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3,4-dimethoxyphenyl)-[4-[(4-ethylphenyl)methyl]piperazin-1-yl]methanone
CID 1015165
(3,4-dimethoxyphenyl)-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]methanone
CID 9109670
[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-[4-(piperidin-1-ylmethyl)phenyl]methanone
CID 18115984
(3,4-dimethoxyphenyl)-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 1074824
(3,4-dimethoxyphenyl)-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 1131708
(4-bromo-3,5-dimethoxyphenyl)-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 31332615
(4-benzyl-1,4-diazepan-1-yl)-(3-methoxy-4-propan-2-yloxyphenyl)methanone
CID 51279436
[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-(3-methoxy-4-methylphenyl)methanone
CID 18284827
[4-(aminomethyl)phenyl]-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]methanone;hydrochloride
CID 119278584
2-[2-methoxy-4-[4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carbonyl]phenoxy]acetamide
CID 9092899
[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 21275342
(3,4-dimethoxyphenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 21209978

Frequently Asked Questions

What is the IUPAC name of [4-[[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]methyl]phenyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [4-[[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]methyl]phenyl]-pyrrolidin-1-ylmethanone (CID 32641638) is [4-[[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]methyl]phenyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [4-[[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]methyl]phenyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [4-[[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]methyl]phenyl]-pyrrolidin-1-ylmethanone is COc1ccc(C(=O)N2CCN(Cc3ccc(C(=O)N4CCCC4)cc3)CC2)cc1OC.
What is the InChIKey of [4-[[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]methyl]phenyl]-pyrrolidin-1-ylmethanone?
The InChIKey is UTOYDSZHDCZNTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O4/c1-31-22-10-9-21(17-23(22)32-2)25(30)28-15-13-26(14-16-28)18-19-5-7-20(8-6-19)24(29)27-11-3-4-12-27/h5-10,17H,3-4,11-16,18H2,1-2H3.
What are the key properties of [4-[[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]methyl]phenyl]-pyrrolidin-1-ylmethanone?
[4-[[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]methyl]phenyl]-pyrrolidin-1-ylmethanone has a molecular weight of 437.54 g/mol, XLogP of 2.90, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]methyl]phenyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 32641638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).