4-piperidin-1-yl-2-pyridin-4-yl-1H-pyrimidin-6-one

C14H16N4O — CID 137291580

IUPAC4-piperidin-1-yl-2-pyridin-4-yl-1H-pyrimidin-6-one
SMILESO=c1cc(N2CCCCC2)nc(-c2ccncc2)[nH]1
InChIInChI=1S/C14H16N4O/c19-13-10-12(18-8-2-1-3-9-18)16-14(17-13)11-4-6-15-7-5-11/h4-7,10H,1-3,8-9H2,(H,16,17,19)
InChIKeyCJBFDUHCEIVLKH-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.82
Rot. Bonds2

About 4-piperidin-1-yl-2-pyridin-4-yl-1H-pyrimidin-6-one

4-piperidin-1-yl-2-pyridin-4-yl-1H-pyrimidin-6-one (PubChem CID 137291580) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 4-piperidin-1-yl-2-pyridin-4-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-piperidin-1-yl-2-pyridin-4-yl-1H-pyrimidin-6-one
PubChem CID137291580
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name4-piperidin-1-yl-2-pyridin-4-yl-1H-pyrimidin-6-one
SMILESO=c1cc(N2CCCCC2)nc(-c2ccncc2)[nH]1
InChIInChI=1S/C14H16N4O/c19-13-10-12(18-8-2-1-3-9-18)16-14(17-13)11-4-6-15-7-5-11/h4-7,10H,1-3,8-9H2,(H,16,17,19)
InChIKeyCJBFDUHCEIVLKH-UHFFFAOYSA-N
XLogP1.82
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-2-(4-pyridin-4-ylphenyl)-1H-pyrimidin-6-one
CID 136993255
2-[4-(piperidin-1-ylmethyl)phenyl]-4-pyridin-4-yl-1H-pyrimidin-6-one;bis(2,2,2-trifluoroacetic acid)
CID 154890395
4-[(2R)-1-benzylpiperidin-2-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one
CID 136682160
4-[1-[(3-fluoro-4-pyrrolidin-1-ylphenyl)methyl]piperidin-3-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one
CID 136765667
4-pyridin-4-yl-2-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one
CID 139891889
4-hydroxy-2-piperidin-1-yl-1H-pyrimidin-6-one
CID 30033455
2-methyl-4-piperidin-1-yl-6-(4-pyridin-4-ylpiperazin-1-yl)pyrimidine
CID 165433055
4-[1-[(4-methoxyphenyl)methyl]piperidin-2-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one
CID 136881746
2-pyridin-4-yl-3,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidin-4-one
CID 135975277
4-[(3R)-1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one
CID 136681421
2-pyridin-4-yl-4-[(3R)-1-(thiophen-2-ylmethyl)piperidin-3-yl]-1H-pyrimidin-6-one
CID 136673491
4-(oxan-4-yl)-2-(6-pyrrolidin-1-yl-2-pyridinyl)-1H-pyrimidin-6-one
CID 167759567

Frequently Asked Questions

What is the IUPAC name of 4-piperidin-1-yl-2-pyridin-4-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-piperidin-1-yl-2-pyridin-4-yl-1H-pyrimidin-6-one (CID 137291580) is 4-piperidin-1-yl-2-pyridin-4-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-piperidin-1-yl-2-pyridin-4-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-piperidin-1-yl-2-pyridin-4-yl-1H-pyrimidin-6-one is O=c1cc(N2CCCCC2)nc(-c2ccncc2)[nH]1.
What is the InChIKey of 4-piperidin-1-yl-2-pyridin-4-yl-1H-pyrimidin-6-one?
The InChIKey is CJBFDUHCEIVLKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c19-13-10-12(18-8-2-1-3-9-18)16-14(17-13)11-4-6-15-7-5-11/h4-7,10H,1-3,8-9H2,(H,16,17,19).
What are the key properties of 4-piperidin-1-yl-2-pyridin-4-yl-1H-pyrimidin-6-one?
4-piperidin-1-yl-2-pyridin-4-yl-1H-pyrimidin-6-one has a molecular weight of 256.31 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-1-yl-2-pyridin-4-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 137291580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).