(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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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).