(1-propylpiperidin-3-yl)-quinolin-6-ylmethanone

C18H22N2O — CID 121479164

IUPAC(1-propylpiperidin-3-yl)-quinolin-6-ylmethanone
SMILESCCCN1CCCC(C(=O)c2ccc3ncccc3c2)C1
InChIInChI=1S/C18H22N2O/c1-2-10-20-11-4-6-16(13-20)18(21)15-7-8-17-14(12-15)5-3-9-19-17/h3,5,7-9,12,16H,2,4,6,10-11,13H2,1H3
InChIKeyFLCATGLJOOGETC-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.54
Rot. Bonds4

About (1-propylpiperidin-3-yl)-quinolin-6-ylmethanone

(1-propylpiperidin-3-yl)-quinolin-6-ylmethanone (PubChem CID 121479164) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is (1-propylpiperidin-3-yl)-quinolin-6-ylmethanone.

Molecular Properties

Compound Name(1-propylpiperidin-3-yl)-quinolin-6-ylmethanone
PubChem CID121479164
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name(1-propylpiperidin-3-yl)-quinolin-6-ylmethanone
SMILESCCCN1CCCC(C(=O)c2ccc3ncccc3c2)C1
InChIInChI=1S/C18H22N2O/c1-2-10-20-11-4-6-16(13-20)18(21)15-7-8-17-14(12-15)5-3-9-19-17/h3,5,7-9,12,16H,2,4,6,10-11,13H2,1H3
InChIKeyFLCATGLJOOGETC-UHFFFAOYSA-N
XLogP3.54
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-propylpiperidin-3-yl)-quinolin-6-ylmethanone?
The IUPAC name of (1-propylpiperidin-3-yl)-quinolin-6-ylmethanone (CID 121479164) is (1-propylpiperidin-3-yl)-quinolin-6-ylmethanone.
What is the SMILES notation for (1-propylpiperidin-3-yl)-quinolin-6-ylmethanone?
The canonical SMILES for (1-propylpiperidin-3-yl)-quinolin-6-ylmethanone is CCCN1CCCC(C(=O)c2ccc3ncccc3c2)C1.
What is the InChIKey of (1-propylpiperidin-3-yl)-quinolin-6-ylmethanone?
The InChIKey is FLCATGLJOOGETC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-2-10-20-11-4-6-16(13-20)18(21)15-7-8-17-14(12-15)5-3-9-19-17/h3,5,7-9,12,16H,2,4,6,10-11,13H2,1H3.
What are the key properties of (1-propylpiperidin-3-yl)-quinolin-6-ylmethanone?
(1-propylpiperidin-3-yl)-quinolin-6-ylmethanone has a molecular weight of 282.39 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-propylpiperidin-3-yl)-quinolin-6-ylmethanone is sourced from PubChem (CID 121479164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).