piperidin-1-yl-(2-pyridin-3-ylquinolin-4-yl)methanone

C20H19N3O — CID 25179508

IUPACpiperidin-1-yl-(2-pyridin-3-ylquinolin-4-yl)methanone
SMILESO=C(c1cc(-c2cccnc2)nc2ccccc12)N1CCCCC1
InChIInChI=1S/C20H19N3O/c24-20(23-11-4-1-5-12-23)17-13-19(15-7-6-10-21-14-15)22-18-9-3-2-8-16(17)18/h2-3,6-10,13-14H,1,4-5,11-12H2
InChIKeyFVUMTXYDTUEXFI-UHFFFAOYSA-N
MW317.39 g/mol
LogP3.92
Rot. Bonds2

About piperidin-1-yl-(2-pyridin-3-ylquinolin-4-yl)methanone

piperidin-1-yl-(2-pyridin-3-ylquinolin-4-yl)methanone (PubChem CID 25179508) has the molecular formula C20H19N3O and a molecular weight of 317.39 g/mol. Its IUPAC name is piperidin-1-yl-(2-pyridin-3-ylquinolin-4-yl)methanone.

Molecular Properties

Compound Namepiperidin-1-yl-(2-pyridin-3-ylquinolin-4-yl)methanone
PubChem CID25179508
Molecular FormulaC20H19N3O
Molecular Weight317.39 g/mol
Exact Mass317.15
IUPAC Namepiperidin-1-yl-(2-pyridin-3-ylquinolin-4-yl)methanone
SMILESO=C(c1cc(-c2cccnc2)nc2ccccc12)N1CCCCC1
InChIInChI=1S/C20H19N3O/c24-20(23-11-4-1-5-12-23)17-13-19(15-7-6-10-21-14-15)22-18-9-3-2-8-16(17)18/h2-3,6-10,13-14H,1,4-5,11-12H2
InChIKeyFVUMTXYDTUEXFI-UHFFFAOYSA-N
XLogP3.92
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-pyridin-3-ylquinolin-4-yl)-pyrrolidin-1-ylmethanone
CID 3412131
[4-(piperidine-1-carbonyl)piperazin-1-yl]-(2-pyridin-3-ylquinolin-4-yl)methanone
CID 24610413
(3-aminopiperidin-1-yl)-(2-pyridin-3-ylquinolin-4-yl)methanone
CID 119380128
[2-(3-methylphenyl)quinolin-4-yl]-piperidin-1-ylmethanone
CID 3533983
[4-(1-aminoethyl)piperidin-1-yl]-(2-pyridin-3-ylquinolin-4-yl)methanone
CID 119519440
[2-(3-methoxyphenyl)quinolin-4-yl]-piperidin-1-ylmethanone
CID 896066
N-(2-oxo-2-pyrrolidin-1-ylethyl)-2-pyridin-3-ylquinoline-4-carboxamide
CID 24612002
2-pyridin-2-yl-1-[4-(2-pyridin-3-ylquinoline-4-carbonyl)piperazin-1-yl]ethanone
CID 56522168
piperidin-1-yl-(2-pyridin-2-ylquinolin-4-yl)methanone
CID 13336341
[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]-(2-pyridin-3-ylquinolin-4-yl)methanone
CID 97148065
N-(5-methyl-2-pyridinyl)-1-(2-pyridin-3-ylquinoline-4-carbonyl)piperidine-3-carboxamide
CID 55931994
piperidin-1-yl-(2-thiophen-3-ylquinolin-4-yl)methanone
CID 42749462

Frequently Asked Questions

What is the IUPAC name of piperidin-1-yl-(2-pyridin-3-ylquinolin-4-yl)methanone?
The IUPAC name of piperidin-1-yl-(2-pyridin-3-ylquinolin-4-yl)methanone (CID 25179508) is piperidin-1-yl-(2-pyridin-3-ylquinolin-4-yl)methanone.
What is the SMILES notation for piperidin-1-yl-(2-pyridin-3-ylquinolin-4-yl)methanone?
The canonical SMILES for piperidin-1-yl-(2-pyridin-3-ylquinolin-4-yl)methanone is O=C(c1cc(-c2cccnc2)nc2ccccc12)N1CCCCC1.
What is the InChIKey of piperidin-1-yl-(2-pyridin-3-ylquinolin-4-yl)methanone?
The InChIKey is FVUMTXYDTUEXFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O/c24-20(23-11-4-1-5-12-23)17-13-19(15-7-6-10-21-14-15)22-18-9-3-2-8-16(17)18/h2-3,6-10,13-14H,1,4-5,11-12H2.
What are the key properties of piperidin-1-yl-(2-pyridin-3-ylquinolin-4-yl)methanone?
piperidin-1-yl-(2-pyridin-3-ylquinolin-4-yl)methanone has a molecular weight of 317.39 g/mol, XLogP of 3.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-yl-(2-pyridin-3-ylquinolin-4-yl)methanone is sourced from PubChem (CID 25179508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).