1-quinolin-4-ylpiperidin-4-one

C14H14N2O — CID 22000285

IUPAC1-quinolin-4-ylpiperidin-4-one
SMILESO=C1CCN(c2ccnc3ccccc23)CC1
InChIInChI=1S/C14H14N2O/c17-11-6-9-16(10-7-11)14-5-8-15-13-4-2-1-3-12(13)14/h1-5,8H,6-7,9-10H2
InChIKeyLQUFWIREUMPYKS-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.40
Rot. Bonds1

About 1-quinolin-4-ylpiperidin-4-one

1-quinolin-4-ylpiperidin-4-one (PubChem CID 22000285) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is 1-quinolin-4-ylpiperidin-4-one.

Molecular Properties

Compound Name1-quinolin-4-ylpiperidin-4-one
PubChem CID22000285
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC Name1-quinolin-4-ylpiperidin-4-one
SMILESO=C1CCN(c2ccnc3ccccc23)CC1
InChIInChI=1S/C14H14N2O/c17-11-6-9-16(10-7-11)14-5-8-15-13-4-2-1-3-12(13)14/h1-5,8H,6-7,9-10H2
InChIKeyLQUFWIREUMPYKS-UHFFFAOYSA-N
XLogP2.40
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(6-fluoroquinolin-4-yl)piperidin-4-one
CID 95929822
1-quinolin-4-ylpiperidine-4-carbaldehyde
CID 62663267
1-(quinolin-4-ylmethyl)piperidin-4-one
CID 79235169
2,3-dimethyl-7-quinolin-4-yl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-one
CID 50953952
4-(1,4-diazepan-1-yl)quinoline
CID 61339543
1-(1-quinolin-4-ylpiperidin-4-yl)ethanone
CID 63845490
2-(4-quinolin-4-ylpiperazin-1-yl)ethanamine
CID 61340442
2-(4-quinolin-4-ylpiperazin-1-yl)acetonitrile
CID 63337323
5-pyrrolidin-1-ylquinoline
CID 118731129
2-quinolin-4-yl-3,4-dihydro-1H-isoquinolin-8-amine
CID 114524293
2-(1-quinolin-4-ylpiperidin-4-yl)ethanesulfonic acid
CID 175185586
N-methyl-N-(1-quinolin-4-ylpiperidin-4-yl)cyclopropanesulfonamide
CID 163349602

Frequently Asked Questions

What is the IUPAC name of 1-quinolin-4-ylpiperidin-4-one?
The IUPAC name of 1-quinolin-4-ylpiperidin-4-one (CID 22000285) is 1-quinolin-4-ylpiperidin-4-one.
What is the SMILES notation for 1-quinolin-4-ylpiperidin-4-one?
The canonical SMILES for 1-quinolin-4-ylpiperidin-4-one is O=C1CCN(c2ccnc3ccccc23)CC1.
What is the InChIKey of 1-quinolin-4-ylpiperidin-4-one?
The InChIKey is LQUFWIREUMPYKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O/c17-11-6-9-16(10-7-11)14-5-8-15-13-4-2-1-3-12(13)14/h1-5,8H,6-7,9-10H2.
What are the key properties of 1-quinolin-4-ylpiperidin-4-one?
1-quinolin-4-ylpiperidin-4-one has a molecular weight of 226.28 g/mol, XLogP of 2.40, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-quinolin-4-ylpiperidin-4-one is sourced from PubChem (CID 22000285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).