1-[4-[(4-chlorothiophen-2-yl)methyl]piperazin-1-yl]ethanone

C11H15ClN2OS — CID 163356375

IUPAC1-[4-[(4-chlorothiophen-2-yl)methyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(Cc2cc(Cl)cs2)CC1
InChIInChI=1S/C11H15ClN2OS/c1-9(15)14-4-2-13(3-5-14)7-11-6-10(12)8-16-11/h6,8H,2-5,7H2,1H3
InChIKeyRJFHCUKUYDHMAI-UHFFFAOYSA-N
MW258.77 g/mol
LogP2.07
Rot. Bonds2

About 1-[4-[(4-chlorothiophen-2-yl)methyl]piperazin-1-yl]ethanone

1-[4-[(4-chlorothiophen-2-yl)methyl]piperazin-1-yl]ethanone (PubChem CID 163356375) has the molecular formula C11H15ClN2OS and a molecular weight of 258.77 g/mol. Its IUPAC name is 1-[4-[(4-chlorothiophen-2-yl)methyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[(4-chlorothiophen-2-yl)methyl]piperazin-1-yl]ethanone
PubChem CID163356375
Molecular FormulaC11H15ClN2OS
Molecular Weight258.77 g/mol
Exact Mass258.06
IUPAC Name1-[4-[(4-chlorothiophen-2-yl)methyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(Cc2cc(Cl)cs2)CC1
InChIInChI=1S/C11H15ClN2OS/c1-9(15)14-4-2-13(3-5-14)7-11-6-10(12)8-16-11/h6,8H,2-5,7H2,1H3
InChIKeyRJFHCUKUYDHMAI-UHFFFAOYSA-N
XLogP2.07
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.77
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[4-[(4-chlorothiophen-2-yl)methyl]piperazin-1-yl]ethanone with MolForge

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Related Compounds

methyl (2S)-2-[1-[(4-chlorothiophen-2-yl)methyl]piperidin-4-yl]-2-hydroxyacetate
CID 129403207
2-[1-[(4-chlorothiophen-2-yl)methyl]-4-hydroxyazepan-4-yl]-2,2-difluoroacetic acid
CID 139016654
2-[1-[(4-chlorothiophen-2-yl)methyl]piperidin-4-yl]-N-methylethanamine;hydrochloride
CID 120843473
1-[(4-chlorothiophen-2-yl)methyl]-3-methylpiperazine;hydrochloride
CID 120840158
1-[4-[[4-(chloromethyl)phenyl]methyl]piperazin-1-yl]ethanone
CID 175453209
1-[4-[(5-propan-2-ylthiophen-2-yl)methyl]piperazin-1-yl]ethanone
CID 170151285
1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propane-1,2-dione
CID 19325548
ethyl 4-[[4-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]piperazine-1-carboxylate
CID 107877674
1-[(4-chlorothiophen-2-yl)methyl]-3-methylpiperidin-4-amine;hydrochloride
CID 120840724
1-[(4-chlorothiophen-2-yl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride
CID 120909269
N-[4-[(4-acetylpiperazin-1-yl)methyl]-3-chlorothiophen-2-yl]-N-(3-chlorophenyl)formamide
CID 174408003
3-[1-[(4-chlorothiophen-2-yl)methyl]piperidin-4-yl]oxypropan-1-amine
CID 79733104

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-chlorothiophen-2-yl)methyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[(4-chlorothiophen-2-yl)methyl]piperazin-1-yl]ethanone (CID 163356375) is 1-[4-[(4-chlorothiophen-2-yl)methyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[(4-chlorothiophen-2-yl)methyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[(4-chlorothiophen-2-yl)methyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(Cc2cc(Cl)cs2)CC1.
What is the InChIKey of 1-[4-[(4-chlorothiophen-2-yl)methyl]piperazin-1-yl]ethanone?
The InChIKey is RJFHCUKUYDHMAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2OS/c1-9(15)14-4-2-13(3-5-14)7-11-6-10(12)8-16-11/h6,8H,2-5,7H2,1H3.
What are the key properties of 1-[4-[(4-chlorothiophen-2-yl)methyl]piperazin-1-yl]ethanone?
1-[4-[(4-chlorothiophen-2-yl)methyl]piperazin-1-yl]ethanone has a molecular weight of 258.77 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-chlorothiophen-2-yl)methyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 163356375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).