2-[[4-(6-methyl-3-pyridinyl)piperidin-1-yl]methyl]-1H-quinolin-4-one

C21H23N3O — CID 166334205

IUPAC2-[[4-(6-methyl-3-pyridinyl)piperidin-1-yl]methyl]-1H-quinolin-4-one
SMILESCc1ccc(C2CCN(Cc3cc(=O)c4ccccc4[nH]3)CC2)cn1
InChIInChI=1S/C21H23N3O/c1-15-6-7-17(13-22-15)16-8-10-24(11-9-16)14-18-12-21(25)19-4-2-3-5-20(19)23-18/h2-7,12-13,16H,8-11,14H2,1H3,(H,23,25)
InChIKeyAZPAQVJXQIQNEC-UHFFFAOYSA-N
MW333.44 g/mol
LogP3.61
Rot. Bonds3

About 2-[[4-(6-methyl-3-pyridinyl)piperidin-1-yl]methyl]-1H-quinolin-4-one

2-[[4-(6-methyl-3-pyridinyl)piperidin-1-yl]methyl]-1H-quinolin-4-one (PubChem CID 166334205) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is 2-[[4-(6-methyl-3-pyridinyl)piperidin-1-yl]methyl]-1H-quinolin-4-one.

Molecular Properties

Compound Name2-[[4-(6-methyl-3-pyridinyl)piperidin-1-yl]methyl]-1H-quinolin-4-one
PubChem CID166334205
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC Name2-[[4-(6-methyl-3-pyridinyl)piperidin-1-yl]methyl]-1H-quinolin-4-one
SMILESCc1ccc(C2CCN(Cc3cc(=O)c4ccccc4[nH]3)CC2)cn1
InChIInChI=1S/C21H23N3O/c1-15-6-7-17(13-22-15)16-8-10-24(11-9-16)14-18-12-21(25)19-4-2-3-5-20(19)23-18/h2-7,12-13,16H,8-11,14H2,1H3,(H,23,25)
InChIKeyAZPAQVJXQIQNEC-UHFFFAOYSA-N
XLogP3.61
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[4-[(R)-hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]methyl]-1H-quinolin-4-one
CID 97155043
2-[[4-(4-methylbenzoyl)piperazin-1-yl]methyl]-1H-quinolin-4-one
CID 22580384
1-[4-(6-methyl-3-pyridinyl)piperidin-1-yl]ethanone
CID 134601157
6-methyl-2-[[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]-1H-quinolin-4-one
CID 72894201
(3R,4R)-3-(cyclopropylmethyl)-4-hydroxy-1-[(4-oxo-1H-quinolin-2-yl)methyl]piperidine-3-carboxylic acid
CID 155911602
2-[[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methylamino]methyl]-1H-quinolin-4-one
CID 45194773
3-[[4-(6-methyl-3-pyridinyl)piperidin-1-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 167772878
2-[[(2S)-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]morpholin-4-yl]methyl]-1H-quinolin-4-one
CID 97121322
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-[1-[(4-oxo-1H-quinolin-2-yl)methyl]piperidin-4-yl]propanamide
CID 26394365
2-[(tert-butylamino)methyl]-1H-quinolin-4-one
CID 59768370
2-[(4-ethoxypiperidin-1-yl)methyl]-6-fluoro-1H-quinolin-4-one
CID 72904106
6-methyl-2-[[(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methyl]-1H-quinolin-4-one
CID 72848669

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(6-methyl-3-pyridinyl)piperidin-1-yl]methyl]-1H-quinolin-4-one?
The IUPAC name of 2-[[4-(6-methyl-3-pyridinyl)piperidin-1-yl]methyl]-1H-quinolin-4-one (CID 166334205) is 2-[[4-(6-methyl-3-pyridinyl)piperidin-1-yl]methyl]-1H-quinolin-4-one.
What is the SMILES notation for 2-[[4-(6-methyl-3-pyridinyl)piperidin-1-yl]methyl]-1H-quinolin-4-one?
The canonical SMILES for 2-[[4-(6-methyl-3-pyridinyl)piperidin-1-yl]methyl]-1H-quinolin-4-one is Cc1ccc(C2CCN(Cc3cc(=O)c4ccccc4[nH]3)CC2)cn1.
What is the InChIKey of 2-[[4-(6-methyl-3-pyridinyl)piperidin-1-yl]methyl]-1H-quinolin-4-one?
The InChIKey is AZPAQVJXQIQNEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O/c1-15-6-7-17(13-22-15)16-8-10-24(11-9-16)14-18-12-21(25)19-4-2-3-5-20(19)23-18/h2-7,12-13,16H,8-11,14H2,1H3,(H,23,25).
What are the key properties of 2-[[4-(6-methyl-3-pyridinyl)piperidin-1-yl]methyl]-1H-quinolin-4-one?
2-[[4-(6-methyl-3-pyridinyl)piperidin-1-yl]methyl]-1H-quinolin-4-one has a molecular weight of 333.44 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(6-methyl-3-pyridinyl)piperidin-1-yl]methyl]-1H-quinolin-4-one is sourced from PubChem (CID 166334205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).