pyrimidin-2-yl-[3-(quinolin-3-ylmethyl)piperidin-1-yl]methanone

C20H20N4O — CID 110111665

IUPACpyrimidin-2-yl-[3-(quinolin-3-ylmethyl)piperidin-1-yl]methanone
SMILESO=C(c1ncccn1)N1CCCC(Cc2cnc3ccccc3c2)C1
InChIInChI=1S/C20H20N4O/c25-20(19-21-8-4-9-22-19)24-10-3-5-15(14-24)11-16-12-17-6-1-2-7-18(17)23-13-16/h1-2,4,6-9,12-13,15H,3,5,10-11,14H2
InChIKeyLLASYTFOMPSMBD-UHFFFAOYSA-N
MW332.41 g/mol
LogP3.12
Rot. Bonds3

About pyrimidin-2-yl-[3-(quinolin-3-ylmethyl)piperidin-1-yl]methanone

pyrimidin-2-yl-[3-(quinolin-3-ylmethyl)piperidin-1-yl]methanone (PubChem CID 110111665) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is pyrimidin-2-yl-[3-(quinolin-3-ylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Namepyrimidin-2-yl-[3-(quinolin-3-ylmethyl)piperidin-1-yl]methanone
PubChem CID110111665
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC Namepyrimidin-2-yl-[3-(quinolin-3-ylmethyl)piperidin-1-yl]methanone
SMILESO=C(c1ncccn1)N1CCCC(Cc2cnc3ccccc3c2)C1
InChIInChI=1S/C20H20N4O/c25-20(19-21-8-4-9-22-19)24-10-3-5-15(14-24)11-16-12-17-6-1-2-7-18(17)23-13-16/h1-2,4,6-9,12-13,15H,3,5,10-11,14H2
InChIKeyLLASYTFOMPSMBD-UHFFFAOYSA-N
XLogP3.12
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

pyridazin-3-yl-[3-(quinolin-3-ylmethyl)piperidin-1-yl]methanone
CID 110090994
(2-methylpyrimidin-5-yl)-[(3R)-3-(quinolin-3-ylmethyl)piperidin-1-yl]methanone
CID 124961648
(4-methyl-1,3-oxazol-5-yl)-[(3R)-3-(quinolin-3-ylmethyl)piperidin-1-yl]methanone
CID 124989323
(4-methylpyrimidin-5-yl)-[(3R)-3-(quinolin-3-ylmethyl)piperidin-1-yl]methanone
CID 124970815
pyridazin-4-yl-[3-(quinolin-3-ylmethyl)pyrrolidin-1-yl]methanone
CID 110111706
pyrimidin-5-yl-[(3R)-3-(quinolin-6-ylmethyl)piperidin-1-yl]methanone
CID 125015441
(2-methylpyrimidin-5-yl)-[(3S)-3-(quinolin-6-ylmethyl)piperidin-1-yl]methanone
CID 124966699
1H-imidazol-5-yl-[3-(quinolin-3-ylmethyl)pyrrolidin-1-yl]methanone
CID 110111486
4-(quinolin-3-ylmethyl)piperidine-1-carboxylic acid
CID 24892821
(1-methylimidazol-4-yl)-[4-(quinolin-3-ylmethyl)azepan-1-yl]methanone
CID 110098870
pyridin-2-yl-[3-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)piperidin-1-yl]methanone
CID 175652168
pyrimidin-2-yl-[(6S)-6-(quinolin-6-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 125019888

Frequently Asked Questions

What is the IUPAC name of pyrimidin-2-yl-[3-(quinolin-3-ylmethyl)piperidin-1-yl]methanone?
The IUPAC name of pyrimidin-2-yl-[3-(quinolin-3-ylmethyl)piperidin-1-yl]methanone (CID 110111665) is pyrimidin-2-yl-[3-(quinolin-3-ylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for pyrimidin-2-yl-[3-(quinolin-3-ylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for pyrimidin-2-yl-[3-(quinolin-3-ylmethyl)piperidin-1-yl]methanone is O=C(c1ncccn1)N1CCCC(Cc2cnc3ccccc3c2)C1.
What is the InChIKey of pyrimidin-2-yl-[3-(quinolin-3-ylmethyl)piperidin-1-yl]methanone?
The InChIKey is LLASYTFOMPSMBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c25-20(19-21-8-4-9-22-19)24-10-3-5-15(14-24)11-16-12-17-6-1-2-7-18(17)23-13-16/h1-2,4,6-9,12-13,15H,3,5,10-11,14H2.
What are the key properties of pyrimidin-2-yl-[3-(quinolin-3-ylmethyl)piperidin-1-yl]methanone?
pyrimidin-2-yl-[3-(quinolin-3-ylmethyl)piperidin-1-yl]methanone has a molecular weight of 332.41 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyrimidin-2-yl-[3-(quinolin-3-ylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 110111665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).