(5-chlorothiophen-2-yl)-(3-propylpiperidin-3-yl)methanone

C13H18ClNOS — CID 116569633

IUPAC(5-chlorothiophen-2-yl)-(3-propylpiperidin-3-yl)methanone
SMILESCCCC1(C(=O)c2ccc(Cl)s2)CCCNC1
InChIInChI=1S/C13H18ClNOS/c1-2-6-13(7-3-8-15-9-13)12(16)10-4-5-11(14)17-10/h4-5,15H,2-3,6-9H2,1H3
InChIKeyANWAKEWHCCGVGP-UHFFFAOYSA-N
MW271.81 g/mol
LogP3.75
Rot. Bonds4

About (5-chlorothiophen-2-yl)-(3-propylpiperidin-3-yl)methanone

(5-chlorothiophen-2-yl)-(3-propylpiperidin-3-yl)methanone (PubChem CID 116569633) has the molecular formula C13H18ClNOS and a molecular weight of 271.81 g/mol. Its IUPAC name is (5-chlorothiophen-2-yl)-(3-propylpiperidin-3-yl)methanone.

Molecular Properties

Compound Name(5-chlorothiophen-2-yl)-(3-propylpiperidin-3-yl)methanone
PubChem CID116569633
Molecular FormulaC13H18ClNOS
Molecular Weight271.81 g/mol
Exact Mass271.08
IUPAC Name(5-chlorothiophen-2-yl)-(3-propylpiperidin-3-yl)methanone
SMILESCCCC1(C(=O)c2ccc(Cl)s2)CCCNC1
InChIInChI=1S/C13H18ClNOS/c1-2-6-13(7-3-8-15-9-13)12(16)10-4-5-11(14)17-10/h4-5,15H,2-3,6-9H2,1H3
InChIKeyANWAKEWHCCGVGP-UHFFFAOYSA-N
XLogP3.75
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.81
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-chlorothiophen-2-yl)-(3-propylpiperidin-3-yl)methanone?
The IUPAC name of (5-chlorothiophen-2-yl)-(3-propylpiperidin-3-yl)methanone (CID 116569633) is (5-chlorothiophen-2-yl)-(3-propylpiperidin-3-yl)methanone.
What is the SMILES notation for (5-chlorothiophen-2-yl)-(3-propylpiperidin-3-yl)methanone?
The canonical SMILES for (5-chlorothiophen-2-yl)-(3-propylpiperidin-3-yl)methanone is CCCC1(C(=O)c2ccc(Cl)s2)CCCNC1.
What is the InChIKey of (5-chlorothiophen-2-yl)-(3-propylpiperidin-3-yl)methanone?
The InChIKey is ANWAKEWHCCGVGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNOS/c1-2-6-13(7-3-8-15-9-13)12(16)10-4-5-11(14)17-10/h4-5,15H,2-3,6-9H2,1H3.
What are the key properties of (5-chlorothiophen-2-yl)-(3-propylpiperidin-3-yl)methanone?
(5-chlorothiophen-2-yl)-(3-propylpiperidin-3-yl)methanone has a molecular weight of 271.81 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorothiophen-2-yl)-(3-propylpiperidin-3-yl)methanone is sourced from PubChem (CID 116569633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).