1-[1-(quinolin-8-ylmethyl)piperidin-3-yl]ethanone

C17H20N2O — CID 63845455

IUPAC1-[1-(quinolin-8-ylmethyl)piperidin-3-yl]ethanone
SMILESCC(=O)C1CCCN(Cc2cccc3cccnc23)C1
InChIInChI=1S/C17H20N2O/c1-13(20)15-8-4-10-19(11-15)12-16-6-2-5-14-7-3-9-18-17(14)16/h2-3,5-7,9,15H,4,8,10-12H2,1H3
InChIKeyBFAIWPFBQHNDIJ-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.04
Rot. Bonds3

About 1-[1-(quinolin-8-ylmethyl)piperidin-3-yl]ethanone

1-[1-(quinolin-8-ylmethyl)piperidin-3-yl]ethanone (PubChem CID 63845455) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-[1-(quinolin-8-ylmethyl)piperidin-3-yl]ethanone.

Molecular Properties

Compound Name1-[1-(quinolin-8-ylmethyl)piperidin-3-yl]ethanone
PubChem CID63845455
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name1-[1-(quinolin-8-ylmethyl)piperidin-3-yl]ethanone
SMILESCC(=O)C1CCCN(Cc2cccc3cccnc23)C1
InChIInChI=1S/C17H20N2O/c1-13(20)15-8-4-10-19(11-15)12-16-6-2-5-14-7-3-9-18-17(14)16/h2-3,5-7,9,15H,4,8,10-12H2,1H3
InChIKeyBFAIWPFBQHNDIJ-UHFFFAOYSA-N
XLogP3.04
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(quinolin-8-ylmethyl)piperidine-3-carboxylic acid
CID 43440675
1-(quinolin-8-ylmethyl)pyrrolidine-3-carboxylic acid
CID 63031197
(3,4-dimethoxyphenyl)-[1-(quinolin-8-ylmethyl)piperidin-3-yl]methanone
CID 45238376
1-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]ethanone
CID 63846661
N-methyl-1-[1-(quinolin-8-ylmethyl)piperidin-3-yl]ethanamine
CID 63854973
8-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)quinoline
CID 78945122
N-[[1-(quinolin-8-ylmethyl)piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]acetamide
CID 110215571
1-[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]ethanone
CID 63845803
2-phenyl-1-[3-[4-(quinolin-8-ylmethyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone
CID 55616121
N-[(2-chlorophenyl)methyl]-3-[1-(quinolin-8-ylmethyl)piperidin-3-yl]propanamide
CID 45192488
methyl 1-[(2-chloro-3-pyridinyl)methyl]piperidine-3-carboxylate
CID 25229111
1-(quinolin-8-ylmethyl)piperidine-4-carbaldehyde
CID 62654466

Frequently Asked Questions

What is the IUPAC name of 1-[1-(quinolin-8-ylmethyl)piperidin-3-yl]ethanone?
The IUPAC name of 1-[1-(quinolin-8-ylmethyl)piperidin-3-yl]ethanone (CID 63845455) is 1-[1-(quinolin-8-ylmethyl)piperidin-3-yl]ethanone.
What is the SMILES notation for 1-[1-(quinolin-8-ylmethyl)piperidin-3-yl]ethanone?
The canonical SMILES for 1-[1-(quinolin-8-ylmethyl)piperidin-3-yl]ethanone is CC(=O)C1CCCN(Cc2cccc3cccnc23)C1.
What is the InChIKey of 1-[1-(quinolin-8-ylmethyl)piperidin-3-yl]ethanone?
The InChIKey is BFAIWPFBQHNDIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-13(20)15-8-4-10-19(11-15)12-16-6-2-5-14-7-3-9-18-17(14)16/h2-3,5-7,9,15H,4,8,10-12H2,1H3.
What are the key properties of 1-[1-(quinolin-8-ylmethyl)piperidin-3-yl]ethanone?
1-[1-(quinolin-8-ylmethyl)piperidin-3-yl]ethanone has a molecular weight of 268.36 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(quinolin-8-ylmethyl)piperidin-3-yl]ethanone is sourced from PubChem (CID 63845455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).