[2-(methylaminomethyl)piperidin-1-yl]-quinolin-2-ylmethanone

C17H21N3O — CID 63249558

IUPAC[2-(methylaminomethyl)piperidin-1-yl]-quinolin-2-ylmethanone
SMILESCNCC1CCCCN1C(=O)c1ccc2ccccc2n1
InChIInChI=1S/C17H21N3O/c1-18-12-14-7-4-5-11-20(14)17(21)16-10-9-13-6-2-3-8-15(13)19-16/h2-3,6,8-10,14,18H,4-5,7,11-12H2,1H3
InChIKeyAQPJHOLHDVSBID-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.45
Rot. Bonds3

About [2-(methylaminomethyl)piperidin-1-yl]-quinolin-2-ylmethanone

[2-(methylaminomethyl)piperidin-1-yl]-quinolin-2-ylmethanone (PubChem CID 63249558) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is [2-(methylaminomethyl)piperidin-1-yl]-quinolin-2-ylmethanone.

Molecular Properties

Compound Name[2-(methylaminomethyl)piperidin-1-yl]-quinolin-2-ylmethanone
PubChem CID63249558
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name[2-(methylaminomethyl)piperidin-1-yl]-quinolin-2-ylmethanone
SMILESCNCC1CCCCN1C(=O)c1ccc2ccccc2n1
InChIInChI=1S/C17H21N3O/c1-18-12-14-7-4-5-11-20(14)17(21)16-10-9-13-6-2-3-8-15(13)19-16/h2-3,6,8-10,14,18H,4-5,7,11-12H2,1H3
InChIKeyAQPJHOLHDVSBID-UHFFFAOYSA-N
XLogP2.45
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(methylaminomethyl)pyrrolidin-1-yl]-quinoxalin-2-ylmethanone
CID 103807625
(7-chloroquinolin-2-yl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;dihydrochloride
CID 119649937
[2-(3-aminopropyl)pyrrolidin-1-yl]-quinolin-2-ylmethanone
CID 63765568
(5-bromo-2-pyridinyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone
CID 63249413
[2-(methylaminomethyl)pyrrolidin-1-yl]-pyridin-2-ylmethanone;dihydrochloride
CID 119651815
[2-(methylaminomethyl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 63249644
[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-quinolin-2-ylmethanone
CID 129427982
[(2S)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-quinolin-2-ylmethanone
CID 95319800
(3-hydroxyphenyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone
CID 63250409
[2-(methylaminomethyl)pyrrolidin-1-yl]-(2-methylquinolin-4-yl)methanone
CID 81485630
N-[[1-(6-methylpyridine-2-carbonyl)piperidin-2-yl]methyl]methanesulfonamide
CID 43073456
[2-[[4-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]piperidin-1-yl]-quinolin-2-ylmethanone
CID 10112531

Frequently Asked Questions

What is the IUPAC name of [2-(methylaminomethyl)piperidin-1-yl]-quinolin-2-ylmethanone?
The IUPAC name of [2-(methylaminomethyl)piperidin-1-yl]-quinolin-2-ylmethanone (CID 63249558) is [2-(methylaminomethyl)piperidin-1-yl]-quinolin-2-ylmethanone.
What is the SMILES notation for [2-(methylaminomethyl)piperidin-1-yl]-quinolin-2-ylmethanone?
The canonical SMILES for [2-(methylaminomethyl)piperidin-1-yl]-quinolin-2-ylmethanone is CNCC1CCCCN1C(=O)c1ccc2ccccc2n1.
What is the InChIKey of [2-(methylaminomethyl)piperidin-1-yl]-quinolin-2-ylmethanone?
The InChIKey is AQPJHOLHDVSBID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-18-12-14-7-4-5-11-20(14)17(21)16-10-9-13-6-2-3-8-15(13)19-16/h2-3,6,8-10,14,18H,4-5,7,11-12H2,1H3.
What are the key properties of [2-(methylaminomethyl)piperidin-1-yl]-quinolin-2-ylmethanone?
[2-(methylaminomethyl)piperidin-1-yl]-quinolin-2-ylmethanone has a molecular weight of 283.38 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylaminomethyl)piperidin-1-yl]-quinolin-2-ylmethanone is sourced from PubChem (CID 63249558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).