2-(2-methylpiperazin-1-yl)-1-pyrrolidin-1-yl-2-thiophen-2-ylethanone

C15H23N3OS — CID 83979354

IUPAC2-(2-methylpiperazin-1-yl)-1-pyrrolidin-1-yl-2-thiophen-2-ylethanone
SMILESCC1CNCCN1C(C(=O)N1CCCC1)c1cccs1
InChIInChI=1S/C15H23N3OS/c1-12-11-16-6-9-18(12)14(13-5-4-10-20-13)15(19)17-7-2-3-8-17/h4-5,10,12,14,16H,2-3,6-9,11H2,1H3
InChIKeyNUUOGVBWTVJFRU-UHFFFAOYSA-N
MW293.44 g/mol
LogP1.71
Rot. Bonds3

About 2-(2-methylpiperazin-1-yl)-1-pyrrolidin-1-yl-2-thiophen-2-ylethanone

2-(2-methylpiperazin-1-yl)-1-pyrrolidin-1-yl-2-thiophen-2-ylethanone (PubChem CID 83979354) has the molecular formula C15H23N3OS and a molecular weight of 293.44 g/mol. Its IUPAC name is 2-(2-methylpiperazin-1-yl)-1-pyrrolidin-1-yl-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name2-(2-methylpiperazin-1-yl)-1-pyrrolidin-1-yl-2-thiophen-2-ylethanone
PubChem CID83979354
Molecular FormulaC15H23N3OS
Molecular Weight293.44 g/mol
Exact Mass293.16
IUPAC Name2-(2-methylpiperazin-1-yl)-1-pyrrolidin-1-yl-2-thiophen-2-ylethanone
SMILESCC1CNCCN1C(C(=O)N1CCCC1)c1cccs1
InChIInChI=1S/C15H23N3OS/c1-12-11-16-6-9-18(12)14(13-5-4-10-20-13)15(19)17-7-2-3-8-17/h4-5,10,12,14,16H,2-3,6-9,11H2,1H3
InChIKeyNUUOGVBWTVJFRU-UHFFFAOYSA-N
XLogP1.71
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-piperazin-1-yl-1-pyrrolidin-1-yl-2-thiophen-2-ylethanone
CID 83979355
1-(azepan-1-yl)-2-piperazin-1-yl-2-thiophen-2-ylethanone
CID 83979370
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
2-(3-methoxyphenyl)-2-(2-methylpiperazin-1-yl)-1-piperidin-1-ylethanone
CID 83978057
2-(2,5-dimethoxyphenyl)-2-(2-methylpiperazin-1-yl)-1-pyrrolidin-1-ylethanone
CID 112539846
2-methyl-1-(1-thiophen-2-ylbutyl)piperazine
CID 64930120
2-(2-methylpiperazin-1-yl)-1-morpholin-4-yl-2-pyridin-4-ylethanone
CID 83980011
N,N-dimethyl-2-(2-methylpiperazin-1-yl)-2-thiophen-2-ylethanamine
CID 83979376
2-(3-methylpiperazin-1-yl)-1-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethanone
CID 83979348
2-(3-methylpiperazin-1-yl)-1-(3-methylpiperidin-1-yl)-2-thiophen-2-ylethanone
CID 83979359
1-pyrrolidin-1-yl-2-(1-thiophen-2-ylethylamino)propan-1-one
CID 43397992

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpiperazin-1-yl)-1-pyrrolidin-1-yl-2-thiophen-2-ylethanone?
The IUPAC name of 2-(2-methylpiperazin-1-yl)-1-pyrrolidin-1-yl-2-thiophen-2-ylethanone (CID 83979354) is 2-(2-methylpiperazin-1-yl)-1-pyrrolidin-1-yl-2-thiophen-2-ylethanone.
What is the SMILES notation for 2-(2-methylpiperazin-1-yl)-1-pyrrolidin-1-yl-2-thiophen-2-ylethanone?
The canonical SMILES for 2-(2-methylpiperazin-1-yl)-1-pyrrolidin-1-yl-2-thiophen-2-ylethanone is CC1CNCCN1C(C(=O)N1CCCC1)c1cccs1.
What is the InChIKey of 2-(2-methylpiperazin-1-yl)-1-pyrrolidin-1-yl-2-thiophen-2-ylethanone?
The InChIKey is NUUOGVBWTVJFRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3OS/c1-12-11-16-6-9-18(12)14(13-5-4-10-20-13)15(19)17-7-2-3-8-17/h4-5,10,12,14,16H,2-3,6-9,11H2,1H3.
What are the key properties of 2-(2-methylpiperazin-1-yl)-1-pyrrolidin-1-yl-2-thiophen-2-ylethanone?
2-(2-methylpiperazin-1-yl)-1-pyrrolidin-1-yl-2-thiophen-2-ylethanone has a molecular weight of 293.44 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpiperazin-1-yl)-1-pyrrolidin-1-yl-2-thiophen-2-ylethanone is sourced from PubChem (CID 83979354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).