(4-chloro-3-methylpiperidin-1-yl)-(3-chlorothiophen-2-yl)methanone

C11H13Cl2NOS — CID 114683220

IUPAC(4-chloro-3-methylpiperidin-1-yl)-(3-chlorothiophen-2-yl)methanone
SMILESCC1CN(C(=O)c2sccc2Cl)CCC1Cl
InChIInChI=1S/C11H13Cl2NOS/c1-7-6-14(4-2-8(7)12)11(15)10-9(13)3-5-16-10/h3,5,7-8H,2,4,6H2,1H3
InChIKeyGYLBOVBOZNDILM-UHFFFAOYSA-N
MW278.20 g/mol
LogP3.49
Rot. Bonds1

About (4-chloro-3-methylpiperidin-1-yl)-(3-chlorothiophen-2-yl)methanone

(4-chloro-3-methylpiperidin-1-yl)-(3-chlorothiophen-2-yl)methanone (PubChem CID 114683220) has the molecular formula C11H13Cl2NOS and a molecular weight of 278.20 g/mol. Its IUPAC name is (4-chloro-3-methylpiperidin-1-yl)-(3-chlorothiophen-2-yl)methanone.

Molecular Properties

Compound Name(4-chloro-3-methylpiperidin-1-yl)-(3-chlorothiophen-2-yl)methanone
PubChem CID114683220
Molecular FormulaC11H13Cl2NOS
Molecular Weight278.20 g/mol
Exact Mass277.01
IUPAC Name(4-chloro-3-methylpiperidin-1-yl)-(3-chlorothiophen-2-yl)methanone
SMILESCC1CN(C(=O)c2sccc2Cl)CCC1Cl
InChIInChI=1S/C11H13Cl2NOS/c1-7-6-14(4-2-8(7)12)11(15)10-9(13)3-5-16-10/h3,5,7-8H,2,4,6H2,1H3
InChIKeyGYLBOVBOZNDILM-UHFFFAOYSA-N
XLogP3.49
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.20
LogP ≤ 53.49
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

(3-chloropyrrolidin-1-yl)-(3-chlorothiophen-2-yl)methanone
CID 80641309
(3-chlorothiophen-2-yl)-[3-(methylamino)pyrrolidin-1-yl]methanone
CID 115300132
[3-(chloromethyl)pyrrolidin-1-yl]-(3-chlorothiophen-2-yl)methanone
CID 80641541
(3-chlorothiophen-2-yl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106671123
(3-bromothiophen-2-yl)-(3,4-dimethylpiperidin-1-yl)methanone
CID 115871811
(3-chlorothiophen-2-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 80640844
(2-chloro-4-methylphenyl)-(4-chloro-3-methylpiperidin-1-yl)methanone
CID 106864067
(2-chlorofuran-3-yl)-(4-chloro-3-methylpiperidin-1-yl)methanone
CID 106690201
(4-chloro-3-methylpiperidin-1-yl)-pyridazin-4-ylmethanone
CID 114682903
3-[1-(3-chlorothiophene-2-carbonyl)piperidin-4-yl]-5-ethyl-1,3-oxazolidin-2-one
CID 3314837
ethyl 1-(3-chlorothiophene-2-carbonyl)piperidine-3-carboxylate
CID 80642246
(3-chlorothiophen-2-yl)-[(6R)-6-[(dimethylamino)methyl]-1,4-oxazepan-4-yl]methanone
CID 124749226

Frequently Asked Questions

What is the IUPAC name of (4-chloro-3-methylpiperidin-1-yl)-(3-chlorothiophen-2-yl)methanone?
The IUPAC name of (4-chloro-3-methylpiperidin-1-yl)-(3-chlorothiophen-2-yl)methanone (CID 114683220) is (4-chloro-3-methylpiperidin-1-yl)-(3-chlorothiophen-2-yl)methanone.
What is the SMILES notation for (4-chloro-3-methylpiperidin-1-yl)-(3-chlorothiophen-2-yl)methanone?
The canonical SMILES for (4-chloro-3-methylpiperidin-1-yl)-(3-chlorothiophen-2-yl)methanone is CC1CN(C(=O)c2sccc2Cl)CCC1Cl.
What is the InChIKey of (4-chloro-3-methylpiperidin-1-yl)-(3-chlorothiophen-2-yl)methanone?
The InChIKey is GYLBOVBOZNDILM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NOS/c1-7-6-14(4-2-8(7)12)11(15)10-9(13)3-5-16-10/h3,5,7-8H,2,4,6H2,1H3.
What are the key properties of (4-chloro-3-methylpiperidin-1-yl)-(3-chlorothiophen-2-yl)methanone?
(4-chloro-3-methylpiperidin-1-yl)-(3-chlorothiophen-2-yl)methanone has a molecular weight of 278.20 g/mol, XLogP of 3.49, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-3-methylpiperidin-1-yl)-(3-chlorothiophen-2-yl)methanone is sourced from PubChem (CID 114683220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).