6-(piperidin-4-ylmethyl)-3,4-dihydro-1H-quinolin-2-one

C15H20N2O — CID 82232043

IUPAC6-(piperidin-4-ylmethyl)-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(CC3CCNCC3)ccc2N1
InChIInChI=1S/C15H20N2O/c18-15-4-2-13-10-12(1-3-14(13)17-15)9-11-5-7-16-8-6-11/h1,3,10-11,16H,2,4-9H2,(H,17,18)
InChIKeyLTZBRKLTFQNTBT-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.11
Rot. Bonds2

About 6-(piperidin-4-ylmethyl)-3,4-dihydro-1H-quinolin-2-one

6-(piperidin-4-ylmethyl)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 82232043) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 6-(piperidin-4-ylmethyl)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-(piperidin-4-ylmethyl)-3,4-dihydro-1H-quinolin-2-one
PubChem CID82232043
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name6-(piperidin-4-ylmethyl)-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(CC3CCNCC3)ccc2N1
InChIInChI=1S/C15H20N2O/c18-15-4-2-13-10-12(1-3-14(13)17-15)9-11-5-7-16-8-6-11/h1,3,10-11,16H,2,4-9H2,(H,17,18)
InChIKeyLTZBRKLTFQNTBT-UHFFFAOYSA-N
XLogP2.11
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-(piperidin-4-ylmethyl)-1,3-dihydroindol-2-one
CID 82231323
6-(2-piperidin-4-ylethyl)-3,4-dihydro-1H-quinolin-2-one
CID 116925681
6-[(pyrrolidin-3-ylamino)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 115118827
6-(morpholin-2-ylmethyl)-3,4-dihydro-1H-quinolin-2-one
CID 116927838
6-[[methyl(pyrrolidin-3-yl)amino]methyl]-3,4-dihydro-1H-quinolin-2-one
CID 115118915
6-(2-bromoethyl)-3,4-dihydro-1H-quinolin-2-one
CID 18382037
6-(2-sulfanylethyl)-3,4-dihydro-1H-quinolin-2-one
CID 82283516
5-[(piperidin-4-ylmethylamino)methyl]-1,3-dihydroindol-2-one
CID 115209941
5-[[4-(methylamino)cyclohexyl]methyl]-1,3-dihydroindol-2-one
CID 116926337
6-[2-(azetidin-3-ylmethylamino)ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 115207782
6-[2-(4-hydroxypiperidin-1-yl)ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 96669721
6-[[1-(2-oxo-3-phenylpropyl)azetidin-3-yl]methyl]-3,4-dihydro-1H-quinolin-2-one
CID 90054264

Frequently Asked Questions

What is the IUPAC name of 6-(piperidin-4-ylmethyl)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-(piperidin-4-ylmethyl)-3,4-dihydro-1H-quinolin-2-one (CID 82232043) is 6-(piperidin-4-ylmethyl)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-(piperidin-4-ylmethyl)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-(piperidin-4-ylmethyl)-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2cc(CC3CCNCC3)ccc2N1.
What is the InChIKey of 6-(piperidin-4-ylmethyl)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is LTZBRKLTFQNTBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c18-15-4-2-13-10-12(1-3-14(13)17-15)9-11-5-7-16-8-6-11/h1,3,10-11,16H,2,4-9H2,(H,17,18).
What are the key properties of 6-(piperidin-4-ylmethyl)-3,4-dihydro-1H-quinolin-2-one?
6-(piperidin-4-ylmethyl)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 244.34 g/mol, XLogP of 2.11, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(piperidin-4-ylmethyl)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 82232043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).