(3-chloropiperidin-1-yl)-(5-methylthiophen-3-yl)methanone

C11H14ClNOS — CID 130877497

IUPAC(3-chloropiperidin-1-yl)-(5-methylthiophen-3-yl)methanone
SMILESCc1cc(C(=O)N2CCCC(Cl)C2)cs1
InChIInChI=1S/C11H14ClNOS/c1-8-5-9(7-15-8)11(14)13-4-2-3-10(12)6-13/h5,7,10H,2-4,6H2,1H3
InChIKeyJYNFISJIDBNOGB-UHFFFAOYSA-N
MW243.76 g/mol
LogP2.90
Rot. Bonds1

About (3-chloropiperidin-1-yl)-(5-methylthiophen-3-yl)methanone

(3-chloropiperidin-1-yl)-(5-methylthiophen-3-yl)methanone (PubChem CID 130877497) has the molecular formula C11H14ClNOS and a molecular weight of 243.76 g/mol. Its IUPAC name is (3-chloropiperidin-1-yl)-(5-methylthiophen-3-yl)methanone.

Molecular Properties

Compound Name(3-chloropiperidin-1-yl)-(5-methylthiophen-3-yl)methanone
PubChem CID130877497
Molecular FormulaC11H14ClNOS
Molecular Weight243.76 g/mol
Exact Mass243.05
IUPAC Name(3-chloropiperidin-1-yl)-(5-methylthiophen-3-yl)methanone
SMILESCc1cc(C(=O)N2CCCC(Cl)C2)cs1
InChIInChI=1S/C11H14ClNOS/c1-8-5-9(7-15-8)11(14)13-4-2-3-10(12)6-13/h5,7,10H,2-4,6H2,1H3
InChIKeyJYNFISJIDBNOGB-UHFFFAOYSA-N
XLogP2.90
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.76
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(3S)-3-hydroxypyrrolidin-1-yl]-(5-methylthiophen-3-yl)methanone
CID 130949994
(3-chloropiperidin-1-yl)-(3,5-dihydroxyphenyl)methanone
CID 107705861
(3-chloropiperidin-1-yl)-(3-fluoro-4-methylphenyl)methanone
CID 63393138
1-[1-(5-methylthiophene-3-carbonyl)piperidin-3-yl]-3-phenylpropan-1-one
CID 70760484
(4-tert-butylphenyl)-(3-chloropiperidin-1-yl)methanone
CID 63392824
(3-chloropiperidin-1-yl)-[4-(dimethylamino)phenyl]methanone
CID 63393268
(3-chloropiperidin-1-yl)-(2,5-dimethylpyrazol-3-yl)methanone
CID 66126511
(3-chloropiperidin-1-yl)-(3-methoxy-4-methylphenyl)methanone
CID 63393366
4-(3-methylpiperidine-1-carbonyl)thiophene-2-sulfonyl chloride
CID 65367626
(3-chloropiperidin-1-yl)-(3-methyl-4-nitrophenyl)methanone
CID 63393046
(5-methylthiophen-3-yl)-[(3R)-3-(1,6-naphthyridin-7-yl)piperidin-1-yl]methanone
CID 92602431
(3-chloropiperidin-1-yl)-(3-ethylthiophen-2-yl)methanone
CID 79974966

Frequently Asked Questions

What is the IUPAC name of (3-chloropiperidin-1-yl)-(5-methylthiophen-3-yl)methanone?
The IUPAC name of (3-chloropiperidin-1-yl)-(5-methylthiophen-3-yl)methanone (CID 130877497) is (3-chloropiperidin-1-yl)-(5-methylthiophen-3-yl)methanone.
What is the SMILES notation for (3-chloropiperidin-1-yl)-(5-methylthiophen-3-yl)methanone?
The canonical SMILES for (3-chloropiperidin-1-yl)-(5-methylthiophen-3-yl)methanone is Cc1cc(C(=O)N2CCCC(Cl)C2)cs1.
What is the InChIKey of (3-chloropiperidin-1-yl)-(5-methylthiophen-3-yl)methanone?
The InChIKey is JYNFISJIDBNOGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNOS/c1-8-5-9(7-15-8)11(14)13-4-2-3-10(12)6-13/h5,7,10H,2-4,6H2,1H3.
What are the key properties of (3-chloropiperidin-1-yl)-(5-methylthiophen-3-yl)methanone?
(3-chloropiperidin-1-yl)-(5-methylthiophen-3-yl)methanone has a molecular weight of 243.76 g/mol, XLogP of 2.90, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloropiperidin-1-yl)-(5-methylthiophen-3-yl)methanone is sourced from PubChem (CID 130877497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).