(5-chlorothiophen-2-yl)-[2-[2-(dimethylamino)ethyl]piperidin-1-yl]methanone

C14H21ClN2OS — CID 53193370

IUPAC(5-chlorothiophen-2-yl)-[2-[2-(dimethylamino)ethyl]piperidin-1-yl]methanone
SMILESCN(C)CCC1CCCCN1C(=O)c1ccc(Cl)s1
InChIInChI=1S/C14H21ClN2OS/c1-16(2)10-8-11-5-3-4-9-17(11)14(18)12-6-7-13(15)19-12/h6-7,11H,3-5,8-10H2,1-2H3
InChIKeyATSUACBZEHHIFC-UHFFFAOYSA-N
MW300.85 g/mol
LogP3.35
Rot. Bonds4

About (5-chlorothiophen-2-yl)-[2-[2-(dimethylamino)ethyl]piperidin-1-yl]methanone

(5-chlorothiophen-2-yl)-[2-[2-(dimethylamino)ethyl]piperidin-1-yl]methanone (PubChem CID 53193370) has the molecular formula C14H21ClN2OS and a molecular weight of 300.85 g/mol. Its IUPAC name is (5-chlorothiophen-2-yl)-[2-[2-(dimethylamino)ethyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-chlorothiophen-2-yl)-[2-[2-(dimethylamino)ethyl]piperidin-1-yl]methanone
PubChem CID53193370
Molecular FormulaC14H21ClN2OS
Molecular Weight300.85 g/mol
Exact Mass300.11
IUPAC Name(5-chlorothiophen-2-yl)-[2-[2-(dimethylamino)ethyl]piperidin-1-yl]methanone
SMILESCN(C)CCC1CCCCN1C(=O)c1ccc(Cl)s1
InChIInChI=1S/C14H21ClN2OS/c1-16(2)10-8-11-5-3-4-9-17(11)14(18)12-6-7-13(15)19-12/h6-7,11H,3-5,8-10H2,1-2H3
InChIKeyATSUACBZEHHIFC-UHFFFAOYSA-N
XLogP3.35
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.85
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-chlorothiophen-2-yl)-[2-[2-(dimethylamino)ethyl]piperidin-1-yl]methanone?
The IUPAC name of (5-chlorothiophen-2-yl)-[2-[2-(dimethylamino)ethyl]piperidin-1-yl]methanone (CID 53193370) is (5-chlorothiophen-2-yl)-[2-[2-(dimethylamino)ethyl]piperidin-1-yl]methanone.
What is the SMILES notation for (5-chlorothiophen-2-yl)-[2-[2-(dimethylamino)ethyl]piperidin-1-yl]methanone?
The canonical SMILES for (5-chlorothiophen-2-yl)-[2-[2-(dimethylamino)ethyl]piperidin-1-yl]methanone is CN(C)CCC1CCCCN1C(=O)c1ccc(Cl)s1.
What is the InChIKey of (5-chlorothiophen-2-yl)-[2-[2-(dimethylamino)ethyl]piperidin-1-yl]methanone?
The InChIKey is ATSUACBZEHHIFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2OS/c1-16(2)10-8-11-5-3-4-9-17(11)14(18)12-6-7-13(15)19-12/h6-7,11H,3-5,8-10H2,1-2H3.
What are the key properties of (5-chlorothiophen-2-yl)-[2-[2-(dimethylamino)ethyl]piperidin-1-yl]methanone?
(5-chlorothiophen-2-yl)-[2-[2-(dimethylamino)ethyl]piperidin-1-yl]methanone has a molecular weight of 300.85 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorothiophen-2-yl)-[2-[2-(dimethylamino)ethyl]piperidin-1-yl]methanone is sourced from PubChem (CID 53193370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).