1-[1-(quinolin-2-ylmethyl)piperidin-2-yl]propan-2-one

C18H22N2O — CID 79538611

IUPAC1-[1-(quinolin-2-ylmethyl)piperidin-2-yl]propan-2-one
SMILESCC(=O)CC1CCCCN1Cc1ccc2ccccc2n1
InChIInChI=1S/C18H22N2O/c1-14(21)12-17-7-4-5-11-20(17)13-16-10-9-15-6-2-3-8-18(15)19-16/h2-3,6,8-10,17H,4-5,7,11-13H2,1H3
InChIKeyWWPVTOONGMBKCF-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.57
Rot. Bonds4

About 1-[1-(quinolin-2-ylmethyl)piperidin-2-yl]propan-2-one

1-[1-(quinolin-2-ylmethyl)piperidin-2-yl]propan-2-one (PubChem CID 79538611) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 1-[1-(quinolin-2-ylmethyl)piperidin-2-yl]propan-2-one.

Molecular Properties

Compound Name1-[1-(quinolin-2-ylmethyl)piperidin-2-yl]propan-2-one
PubChem CID79538611
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name1-[1-(quinolin-2-ylmethyl)piperidin-2-yl]propan-2-one
SMILESCC(=O)CC1CCCCN1Cc1ccc2ccccc2n1
InChIInChI=1S/C18H22N2O/c1-14(21)12-17-7-4-5-11-20(17)13-16-10-9-15-6-2-3-8-18(15)19-16/h2-3,6,8-10,17H,4-5,7,11-13H2,1H3
InChIKeyWWPVTOONGMBKCF-UHFFFAOYSA-N
XLogP3.57
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 ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-1-(quinolin-2-ylmethyl)pyrrolidin-2-yl]methanol
CID 78995603
2-[[2-(bromomethyl)pyrrolidin-1-yl]methyl]quinoline
CID 80675692
1-[1-(pyrimidin-2-ylmethyl)piperidin-2-yl]propan-2-one
CID 79539105
2-[[2-(2-bromoethyl)pyrrolidin-1-yl]methyl]quinoline
CID 112747828
1-[1-[(1-methyltriazol-4-yl)methyl]piperidin-2-yl]propan-2-one
CID 107043029
1-[1-(quinolin-4-ylmethyl)pyrrolidin-2-yl]propan-2-one
CID 79546140
1-[1-(pyridin-3-ylmethyl)azepan-2-yl]propan-2-one
CID 79560623
N-(4-pyrazol-1-ylphenyl)-1-(quinolin-2-ylmethyl)piperidine-2-carboxamide
CID 45228050
2-[1-[(2-methylpyrimidin-4-yl)methyl]piperidin-2-yl]acetic acid
CID 115529605
1-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-2-yl]propan-2-one
CID 79535895
1-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]propan-2-one
CID 79539306
1-[1-[(3,4-dimethylphenyl)methyl]azepan-2-yl]propan-2-one
CID 79560534

Frequently Asked Questions

What is the IUPAC name of 1-[1-(quinolin-2-ylmethyl)piperidin-2-yl]propan-2-one?
The IUPAC name of 1-[1-(quinolin-2-ylmethyl)piperidin-2-yl]propan-2-one (CID 79538611) is 1-[1-(quinolin-2-ylmethyl)piperidin-2-yl]propan-2-one.
What is the SMILES notation for 1-[1-(quinolin-2-ylmethyl)piperidin-2-yl]propan-2-one?
The canonical SMILES for 1-[1-(quinolin-2-ylmethyl)piperidin-2-yl]propan-2-one is CC(=O)CC1CCCCN1Cc1ccc2ccccc2n1.
What is the InChIKey of 1-[1-(quinolin-2-ylmethyl)piperidin-2-yl]propan-2-one?
The InChIKey is WWPVTOONGMBKCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-14(21)12-17-7-4-5-11-20(17)13-16-10-9-15-6-2-3-8-18(15)19-16/h2-3,6,8-10,17H,4-5,7,11-13H2,1H3.
What are the key properties of 1-[1-(quinolin-2-ylmethyl)piperidin-2-yl]propan-2-one?
1-[1-(quinolin-2-ylmethyl)piperidin-2-yl]propan-2-one has a molecular weight of 282.39 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(quinolin-2-ylmethyl)piperidin-2-yl]propan-2-one is sourced from PubChem (CID 79538611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).