pyrimidin-5-yl-[(3R)-3-(quinolin-6-ylmethyl)piperidin-1-yl]methanone

C20H20N4O — CID 125015441

IUPACpyrimidin-5-yl-[(3R)-3-(quinolin-6-ylmethyl)piperidin-1-yl]methanone
SMILESO=C(c1cncnc1)N1CCC[C@H](Cc2ccc3ncccc3c2)C1
InChIInChI=1S/C20H20N4O/c25-20(18-11-21-14-22-12-18)24-8-2-3-16(13-24)9-15-5-6-19-17(10-15)4-1-7-23-19/h1,4-7,10-12,14,16H,2-3,8-9,13H2/t16-/m1/s1
InChIKeyWTRUGDROAKLILA-MRXNPFEDSA-N
MW332.41 g/mol
LogP3.12
Rot. Bonds3

About pyrimidin-5-yl-[(3R)-3-(quinolin-6-ylmethyl)piperidin-1-yl]methanone

pyrimidin-5-yl-[(3R)-3-(quinolin-6-ylmethyl)piperidin-1-yl]methanone (PubChem CID 125015441) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is pyrimidin-5-yl-[(3R)-3-(quinolin-6-ylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Namepyrimidin-5-yl-[(3R)-3-(quinolin-6-ylmethyl)piperidin-1-yl]methanone
PubChem CID125015441
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC Namepyrimidin-5-yl-[(3R)-3-(quinolin-6-ylmethyl)piperidin-1-yl]methanone
SMILESO=C(c1cncnc1)N1CCC[C@H](Cc2ccc3ncccc3c2)C1
InChIInChI=1S/C20H20N4O/c25-20(18-11-21-14-22-12-18)24-8-2-3-16(13-24)9-15-5-6-19-17(10-15)4-1-7-23-19/h1,4-7,10-12,14,16H,2-3,8-9,13H2/t16-/m1/s1
InChIKeyWTRUGDROAKLILA-MRXNPFEDSA-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

(2-methylpyrimidin-5-yl)-[(3S)-3-(quinolin-6-ylmethyl)piperidin-1-yl]methanone
CID 124966699
pyridin-3-yl-[3-(quinolin-6-ylmethyl)pyrrolidin-1-yl]methanone
CID 110258714
(5-methyl-1,3-oxazol-4-yl)-[(3R)-3-(quinolin-6-ylmethyl)piperidin-1-yl]methanone
CID 124967795
(1-methylpyrazol-4-yl)-[(3R)-3-(quinolin-6-ylmethyl)pyrrolidin-1-yl]methanone
CID 95828739
pyrimidin-4-yl-[(4R)-4-(quinolin-6-ylmethyl)azepan-1-yl]methanone
CID 124975155
pyrimidin-2-yl-[3-(quinolin-3-ylmethyl)piperidin-1-yl]methanone
CID 110111665
(2-methylpyrimidin-5-yl)-[(3R)-3-(quinolin-3-ylmethyl)piperidin-1-yl]methanone
CID 124961648
[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[3-(quinolin-6-ylmethyl)piperidin-1-yl]methanone
CID 132767463
pyridazin-4-yl-[(6S)-6-(quinolin-6-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 124963997
[3-(methylaminomethyl)piperidin-1-yl]-quinolin-6-ylmethanone;dihydrochloride
CID 119398124
(4-methylpyrimidin-5-yl)-[(3R)-3-(quinolin-3-ylmethyl)piperidin-1-yl]methanone
CID 124970815
pyrimidin-5-yl-[(3S)-3-(quinolin-4-ylmethyl)pyrrolidin-1-yl]methanone
CID 124950383

Frequently Asked Questions

What is the IUPAC name of pyrimidin-5-yl-[(3R)-3-(quinolin-6-ylmethyl)piperidin-1-yl]methanone?
The IUPAC name of pyrimidin-5-yl-[(3R)-3-(quinolin-6-ylmethyl)piperidin-1-yl]methanone (CID 125015441) is pyrimidin-5-yl-[(3R)-3-(quinolin-6-ylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for pyrimidin-5-yl-[(3R)-3-(quinolin-6-ylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for pyrimidin-5-yl-[(3R)-3-(quinolin-6-ylmethyl)piperidin-1-yl]methanone is O=C(c1cncnc1)N1CCC[C@H](Cc2ccc3ncccc3c2)C1.
What is the InChIKey of pyrimidin-5-yl-[(3R)-3-(quinolin-6-ylmethyl)piperidin-1-yl]methanone?
The InChIKey is WTRUGDROAKLILA-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H20N4O/c25-20(18-11-21-14-22-12-18)24-8-2-3-16(13-24)9-15-5-6-19-17(10-15)4-1-7-23-19/h1,4-7,10-12,14,16H,2-3,8-9,13H2/t16-/m1/s1.
What are the key properties of pyrimidin-5-yl-[(3R)-3-(quinolin-6-ylmethyl)piperidin-1-yl]methanone?
pyrimidin-5-yl-[(3R)-3-(quinolin-6-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-5-yl-[(3R)-3-(quinolin-6-ylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 125015441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).