2-(2,5-dimethoxyphenyl)-2-(2-methylpiperazin-1-yl)-1-pyrrolidin-1-ylethanone

C19H29N3O3 — CID 112539846

IUPAC2-(2,5-dimethoxyphenyl)-2-(2-methylpiperazin-1-yl)-1-pyrrolidin-1-ylethanone
SMILESCOc1ccc(OC)c(C(C(=O)N2CCCC2)N2CCNCC2C)c1
InChIInChI=1S/C19H29N3O3/c1-14-13-20-8-11-22(14)18(19(23)21-9-4-5-10-21)16-12-15(24-2)6-7-17(16)25-3/h6-7,12,14,18,20H,4-5,8-11,13H2,1-3H3
InChIKeyYDHRYPCHIRPYHS-UHFFFAOYSA-N
MW347.46 g/mol
LogP1.66
Rot. Bonds5

About 2-(2,5-dimethoxyphenyl)-2-(2-methylpiperazin-1-yl)-1-pyrrolidin-1-ylethanone

2-(2,5-dimethoxyphenyl)-2-(2-methylpiperazin-1-yl)-1-pyrrolidin-1-ylethanone (PubChem CID 112539846) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is 2-(2,5-dimethoxyphenyl)-2-(2-methylpiperazin-1-yl)-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-(2,5-dimethoxyphenyl)-2-(2-methylpiperazin-1-yl)-1-pyrrolidin-1-ylethanone
PubChem CID112539846
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name2-(2,5-dimethoxyphenyl)-2-(2-methylpiperazin-1-yl)-1-pyrrolidin-1-ylethanone
SMILESCOc1ccc(OC)c(C(C(=O)N2CCCC2)N2CCNCC2C)c1
InChIInChI=1S/C19H29N3O3/c1-14-13-20-8-11-22(14)18(19(23)21-9-4-5-10-21)16-12-15(24-2)6-7-17(16)25-3/h6-7,12,14,18,20H,4-5,8-11,13H2,1-3H3
InChIKeyYDHRYPCHIRPYHS-UHFFFAOYSA-N
XLogP1.66
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-methoxyphenyl)-2-(2-methylpiperazin-1-yl)-1-piperidin-1-ylethanone
CID 83978057
1-(4-hydroxypiperidin-1-yl)-2-(3-methoxyphenyl)-2-(2-methylpiperazin-1-yl)ethanone
CID 112539372
2-(2-methylpiperazin-1-yl)-2-(2,4,5-trimethoxyphenyl)acetic acid
CID 83979929
2-(2-methylpiperazin-1-yl)-1-pyrrolidin-1-yl-2-thiophen-2-ylethanone
CID 83979354
2-(2-methylpiperazin-1-yl)-2-pyridin-2-yl-1-pyrrolidin-1-ylethanone
CID 83980128
2-[(2R)-2-methylpiperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 82755930
1-[1-(2,4-dimethoxyphenyl)-2-piperidin-1-ylethyl]-2-methylpiperazine
CID 112539814
2-(3-methoxyphenyl)-N,N-dimethyl-2-(2-methylpiperazin-1-yl)acetamide
CID 83978037
(2,5-dimethoxyphenyl)-(1-methylpiperazin-2-yl)methanamine
CID 116941249
2-(3,4-dimethoxyphenyl)-2-piperazin-1-yl-1-piperidin-1-ylethanone
CID 112539474
2-(4-methoxyphenoxy)-1-(2-methylpiperazin-1-yl)propan-1-one
CID 119472935
N-[1-(2,5-dimethoxyphenyl)ethyl]piperidine-3-carboxamide;hydrochloride
CID 119272446

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethoxyphenyl)-2-(2-methylpiperazin-1-yl)-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-(2,5-dimethoxyphenyl)-2-(2-methylpiperazin-1-yl)-1-pyrrolidin-1-ylethanone (CID 112539846) is 2-(2,5-dimethoxyphenyl)-2-(2-methylpiperazin-1-yl)-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-(2,5-dimethoxyphenyl)-2-(2-methylpiperazin-1-yl)-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-(2,5-dimethoxyphenyl)-2-(2-methylpiperazin-1-yl)-1-pyrrolidin-1-ylethanone is COc1ccc(OC)c(C(C(=O)N2CCCC2)N2CCNCC2C)c1.
What is the InChIKey of 2-(2,5-dimethoxyphenyl)-2-(2-methylpiperazin-1-yl)-1-pyrrolidin-1-ylethanone?
The InChIKey is YDHRYPCHIRPYHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-14-13-20-8-11-22(14)18(19(23)21-9-4-5-10-21)16-12-15(24-2)6-7-17(16)25-3/h6-7,12,14,18,20H,4-5,8-11,13H2,1-3H3.
What are the key properties of 2-(2,5-dimethoxyphenyl)-2-(2-methylpiperazin-1-yl)-1-pyrrolidin-1-ylethanone?
2-(2,5-dimethoxyphenyl)-2-(2-methylpiperazin-1-yl)-1-pyrrolidin-1-ylethanone has a molecular weight of 347.46 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethoxyphenyl)-2-(2-methylpiperazin-1-yl)-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 112539846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).