2-methyl-3-(piperidin-1-ylmethyl)-1H-quinolin-4-one

C16H20N2O — CID 710590

IUPAC2-methyl-3-(piperidin-1-ylmethyl)-1H-quinolin-4-one
SMILESCc1[nH]c2ccccc2c(=O)c1CN1CCCCC1
InChIInChI=1S/C16H20N2O/c1-12-14(11-18-9-5-2-6-10-18)16(19)13-7-3-4-8-15(13)17-12/h3-4,7-8H,2,5-6,9-11H2,1H3,(H,17,19)
InChIKeyXHTAAEZHPPFTSB-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.82
Rot. Bonds2

About 2-methyl-3-(piperidin-1-ylmethyl)-1H-quinolin-4-one

2-methyl-3-(piperidin-1-ylmethyl)-1H-quinolin-4-one (PubChem CID 710590) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-methyl-3-(piperidin-1-ylmethyl)-1H-quinolin-4-one.

Molecular Properties

Compound Name2-methyl-3-(piperidin-1-ylmethyl)-1H-quinolin-4-one
PubChem CID710590
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name2-methyl-3-(piperidin-1-ylmethyl)-1H-quinolin-4-one
SMILESCc1[nH]c2ccccc2c(=O)c1CN1CCCCC1
InChIInChI=1S/C16H20N2O/c1-12-14(11-18-9-5-2-6-10-18)16(19)13-7-3-4-8-15(13)17-12/h3-4,7-8H,2,5-6,9-11H2,1H3,(H,17,19)
InChIKeyXHTAAEZHPPFTSB-UHFFFAOYSA-N
XLogP2.82
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(piperidin-1-ylmethyl)-1H-quinolin-4-one?
The IUPAC name of 2-methyl-3-(piperidin-1-ylmethyl)-1H-quinolin-4-one (CID 710590) is 2-methyl-3-(piperidin-1-ylmethyl)-1H-quinolin-4-one.
What is the SMILES notation for 2-methyl-3-(piperidin-1-ylmethyl)-1H-quinolin-4-one?
The canonical SMILES for 2-methyl-3-(piperidin-1-ylmethyl)-1H-quinolin-4-one is Cc1[nH]c2ccccc2c(=O)c1CN1CCCCC1.
What is the InChIKey of 2-methyl-3-(piperidin-1-ylmethyl)-1H-quinolin-4-one?
The InChIKey is XHTAAEZHPPFTSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-12-14(11-18-9-5-2-6-10-18)16(19)13-7-3-4-8-15(13)17-12/h3-4,7-8H,2,5-6,9-11H2,1H3,(H,17,19).
What are the key properties of 2-methyl-3-(piperidin-1-ylmethyl)-1H-quinolin-4-one?
2-methyl-3-(piperidin-1-ylmethyl)-1H-quinolin-4-one has a molecular weight of 256.35 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(piperidin-1-ylmethyl)-1H-quinolin-4-one is sourced from PubChem (CID 710590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).