1-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-3-yl]ethanone

C12H16ClNOS — CID 63844771

IUPAC1-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-3-yl]ethanone
SMILESCC(=O)C1CCCN(Cc2ccc(Cl)s2)C1
InChIInChI=1S/C12H16ClNOS/c1-9(15)10-3-2-6-14(7-10)8-11-4-5-12(13)16-11/h4-5,10H,2-3,6-8H2,1H3
InChIKeyVAKPGQUFPPVCPO-UHFFFAOYSA-N
MW257.79 g/mol
LogP3.20
Rot. Bonds3

About 1-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-3-yl]ethanone

1-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-3-yl]ethanone (PubChem CID 63844771) has the molecular formula C12H16ClNOS and a molecular weight of 257.79 g/mol. Its IUPAC name is 1-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-3-yl]ethanone.

Molecular Properties

Compound Name1-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-3-yl]ethanone
PubChem CID63844771
Molecular FormulaC12H16ClNOS
Molecular Weight257.79 g/mol
Exact Mass257.06
IUPAC Name1-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-3-yl]ethanone
SMILESCC(=O)C1CCCN(Cc2ccc(Cl)s2)C1
InChIInChI=1S/C12H16ClNOS/c1-9(15)10-3-2-6-14(7-10)8-11-4-5-12(13)16-11/h4-5,10H,2-3,6-8H2,1H3
InChIKeyVAKPGQUFPPVCPO-UHFFFAOYSA-N
XLogP3.20
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.79
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-3-yl]ethanone with MolForge

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Related Compounds

ethyl (3S)-1-[(5-chlorothiophen-2-yl)methyl]piperidine-3-carboxylate
CID 81339175
1-[(5-methylthiophen-2-yl)methyl]piperidine-3-carboxylic acid
CID 4044656
N-[[1-[(5-chlorothiophen-2-yl)methyl]piperidin-3-yl]methyl]ethanamine
CID 62581145
3-(bromomethyl)-1-[(5-chlorothiophen-2-yl)methyl]piperidine
CID 80679761
1-[1-[(4-bromothiophen-2-yl)methyl]piperidin-3-yl]ethanone
CID 63846149
(3R)-N-[(5-chlorothiophen-2-yl)methyl]-1-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 97210781
[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-[1-(4-methylbenzoyl)piperidin-3-yl]methanone
CID 55622645
1-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]ethanone
CID 63846661
ethyl 1-[(5-bromothiophen-2-yl)methyl]piperidine-3-carboxylate
CID 2838657
(3S)-1-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 95206919
1-[(5-chlorothiophen-2-yl)methyl]-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide
CID 45233230
1-[(5-chlorothiophen-2-yl)methyl]pyrrolidin-3-amine;hydrochloride
CID 119917354

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-3-yl]ethanone?
The IUPAC name of 1-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-3-yl]ethanone (CID 63844771) is 1-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-3-yl]ethanone.
What is the SMILES notation for 1-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-3-yl]ethanone?
The canonical SMILES for 1-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-3-yl]ethanone is CC(=O)C1CCCN(Cc2ccc(Cl)s2)C1.
What is the InChIKey of 1-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-3-yl]ethanone?
The InChIKey is VAKPGQUFPPVCPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNOS/c1-9(15)10-3-2-6-14(7-10)8-11-4-5-12(13)16-11/h4-5,10H,2-3,6-8H2,1H3.
What are the key properties of 1-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-3-yl]ethanone?
1-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-3-yl]ethanone has a molecular weight of 257.79 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-3-yl]ethanone is sourced from PubChem (CID 63844771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).