2-chloro-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone

C11H15ClN2OS — CID 7131790

IUPAC2-chloro-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone
SMILESO=C(CCl)N1CCN(Cc2cccs2)CC1
InChIInChI=1S/C11H15ClN2OS/c12-8-11(15)14-5-3-13(4-6-14)9-10-2-1-7-16-10/h1-2,7H,3-6,8-9H2
InChIKeyCNYRPLHEARDSQA-UHFFFAOYSA-N
MW258.77 g/mol
LogP1.63
Rot. Bonds3

About 2-chloro-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone

2-chloro-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone (PubChem CID 7131790) has the molecular formula C11H15ClN2OS and a molecular weight of 258.77 g/mol. Its IUPAC name is 2-chloro-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-chloro-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone
PubChem CID7131790
Molecular FormulaC11H15ClN2OS
Molecular Weight258.77 g/mol
Exact Mass258.06
IUPAC Name2-chloro-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone
SMILESO=C(CCl)N1CCN(Cc2cccs2)CC1
InChIInChI=1S/C11H15ClN2OS/c12-8-11(15)14-5-3-13(4-6-14)9-10-2-1-7-16-10/h1-2,7H,3-6,8-9H2
InChIKeyCNYRPLHEARDSQA-UHFFFAOYSA-N
XLogP1.63
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.77
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide
CID 2465947
2-chloro-N-methyl-N-(thien-2-ylmethyl)acetamide
CID 2543182
2-chloro-N-(1-(thiophen-2-yl)ethyl)acetamide
CID 4961595
2-chloro-N-methyl-N-((3-methylthiophen-2-yl)methyl)acetamide
CID 16226905
2-[4-(2-Chloroacetyl)piperazin-1-yl]-2-(thiophen-2-yl)acetonitrile
CID 16227447
2-chloro-N-((thiophen-2-yl)methyl)acetamide
CID 1805993
1-(Thiophen-2-ylmethyl) piperazine-2,6 dione
CID 66061669
2-chloro-1-{4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}ethan-1-one
CID 16227666
2-chloro-N-[(thiophen-2-yl)methyl]propanamide
CID 16227001
2-Chloro-1-(4-((thiophen-2-yl)methyl)piperazin-1-yl)ethan-1-one hydrochloride
CID 16276627
1-(4-((5-Bromothiophen-2-yl)methyl)piperazin-1-yl)-2-chloroethan-1-one hydrochloride
CID 16392021
2-chloro-N-(prop-2-en-1-yl)-N-(thiophen-2-ylmethyl)propanamide
CID 50987501

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-chloro-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone (CID 7131790) is 2-chloro-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-chloro-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-chloro-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone is O=C(CCl)N1CCN(Cc2cccs2)CC1.
What is the InChIKey of 2-chloro-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone?
The InChIKey is CNYRPLHEARDSQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2OS/c12-8-11(15)14-5-3-13(4-6-14)9-10-2-1-7-16-10/h1-2,7H,3-6,8-9H2.
What are the key properties of 2-chloro-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone?
2-chloro-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone has a molecular weight of 258.77 g/mol, XLogP of 1.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 7131790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).