2-piperazin-1-yl-1-pyrrolidin-1-yl-2-thiophen-2-ylethanone

C14H21N3OS — CID 83979355

IUPAC2-piperazin-1-yl-1-pyrrolidin-1-yl-2-thiophen-2-ylethanone
SMILESO=C(C(c1cccs1)N1CCNCC1)N1CCCC1
InChIInChI=1S/C14H21N3OS/c18-14(17-7-1-2-8-17)13(12-4-3-11-19-12)16-9-5-15-6-10-16/h3-4,11,13,15H,1-2,5-10H2
InChIKeySFLPEBOKCLNJAN-UHFFFAOYSA-N
MW279.41 g/mol
LogP1.32
Rot. Bonds3

About 2-piperazin-1-yl-1-pyrrolidin-1-yl-2-thiophen-2-ylethanone

2-piperazin-1-yl-1-pyrrolidin-1-yl-2-thiophen-2-ylethanone (PubChem CID 83979355) has the molecular formula C14H21N3OS and a molecular weight of 279.41 g/mol. Its IUPAC name is 2-piperazin-1-yl-1-pyrrolidin-1-yl-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name2-piperazin-1-yl-1-pyrrolidin-1-yl-2-thiophen-2-ylethanone
PubChem CID83979355
Molecular FormulaC14H21N3OS
Molecular Weight279.41 g/mol
Exact Mass279.14
IUPAC Name2-piperazin-1-yl-1-pyrrolidin-1-yl-2-thiophen-2-ylethanone
SMILESO=C(C(c1cccs1)N1CCNCC1)N1CCCC1
InChIInChI=1S/C14H21N3OS/c18-14(17-7-1-2-8-17)13(12-4-3-11-19-12)16-9-5-15-6-10-16/h3-4,11,13,15H,1-2,5-10H2
InChIKeySFLPEBOKCLNJAN-UHFFFAOYSA-N
XLogP1.32
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(azepan-1-yl)-2-piperazin-1-yl-2-thiophen-2-ylethanone
CID 83979370
2-(2-methylpiperazin-1-yl)-1-pyrrolidin-1-yl-2-thiophen-2-ylethanone
CID 83979354
methyl 2-piperazin-1-yl-2-thiophen-2-ylacetate
CID 61347523
2-(3-methylpiperazin-1-yl)-1-(3-methylpiperidin-1-yl)-2-thiophen-2-ylethanone
CID 83979359
2-(3-methylpiperazin-1-yl)-1-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethanone
CID 83979348
2-(2-ethoxyphenyl)-2-piperazin-1-yl-1-pyrrolidin-1-ylethanone
CID 83979107
1-pyrrolidin-1-yl-2-(1-thiophen-2-ylethylamino)propan-1-one
CID 43397992
1-(4-methylpiperazin-1-yl)-2-piperazin-1-yl-2-pyridin-4-ylethanone
CID 83980013
piperazin-1-yl(thiophen-2-yl)methanamine
CID 116939719
2-(3,4-dimethoxyphenyl)-2-piperazin-1-yl-1-piperidin-1-ylethanone
CID 112539474
2-[(S)-piperazin-1-yl(thiophen-2-yl)methyl]phenol;dihydrochloride
CID 171287287
2-(4-hydroxy-3-methoxyphenyl)-2-piperazin-1-yl-1-piperidin-1-ylethanone
CID 83979179

Frequently Asked Questions

What is the IUPAC name of 2-piperazin-1-yl-1-pyrrolidin-1-yl-2-thiophen-2-ylethanone?
The IUPAC name of 2-piperazin-1-yl-1-pyrrolidin-1-yl-2-thiophen-2-ylethanone (CID 83979355) is 2-piperazin-1-yl-1-pyrrolidin-1-yl-2-thiophen-2-ylethanone.
What is the SMILES notation for 2-piperazin-1-yl-1-pyrrolidin-1-yl-2-thiophen-2-ylethanone?
The canonical SMILES for 2-piperazin-1-yl-1-pyrrolidin-1-yl-2-thiophen-2-ylethanone is O=C(C(c1cccs1)N1CCNCC1)N1CCCC1.
What is the InChIKey of 2-piperazin-1-yl-1-pyrrolidin-1-yl-2-thiophen-2-ylethanone?
The InChIKey is SFLPEBOKCLNJAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3OS/c18-14(17-7-1-2-8-17)13(12-4-3-11-19-12)16-9-5-15-6-10-16/h3-4,11,13,15H,1-2,5-10H2.
What are the key properties of 2-piperazin-1-yl-1-pyrrolidin-1-yl-2-thiophen-2-ylethanone?
2-piperazin-1-yl-1-pyrrolidin-1-yl-2-thiophen-2-ylethanone has a molecular weight of 279.41 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperazin-1-yl-1-pyrrolidin-1-yl-2-thiophen-2-ylethanone is sourced from PubChem (CID 83979355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).