4-[1-(cyclohexylmethyl)piperidin-4-yl]-2-pyridin-3-yl-1H-pyrimidin-6-one

C21H28N4O — CID 136673443

IUPAC4-[1-(cyclohexylmethyl)piperidin-4-yl]-2-pyridin-3-yl-1H-pyrimidin-6-one
SMILESO=c1cc(C2CCN(CC3CCCCC3)CC2)nc(-c2cccnc2)[nH]1
InChIInChI=1S/C21H28N4O/c26-20-13-19(23-21(24-20)18-7-4-10-22-14-18)17-8-11-25(12-9-17)15-16-5-2-1-3-6-16/h4,7,10,13-14,16-17H,1-3,5-6,8-9,11-12,15H2,(H,23,24,26)
InChIKeyRZCFLPIPGNETBO-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.59
Rot. Bonds4

About 4-[1-(cyclohexylmethyl)piperidin-4-yl]-2-pyridin-3-yl-1H-pyrimidin-6-one

4-[1-(cyclohexylmethyl)piperidin-4-yl]-2-pyridin-3-yl-1H-pyrimidin-6-one (PubChem CID 136673443) has the molecular formula C21H28N4O and a molecular weight of 352.48 g/mol. Its IUPAC name is 4-[1-(cyclohexylmethyl)piperidin-4-yl]-2-pyridin-3-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[1-(cyclohexylmethyl)piperidin-4-yl]-2-pyridin-3-yl-1H-pyrimidin-6-one
PubChem CID136673443
Molecular FormulaC21H28N4O
Molecular Weight352.48 g/mol
Exact Mass352.23
IUPAC Name4-[1-(cyclohexylmethyl)piperidin-4-yl]-2-pyridin-3-yl-1H-pyrimidin-6-one
SMILESO=c1cc(C2CCN(CC3CCCCC3)CC2)nc(-c2cccnc2)[nH]1
InChIInChI=1S/C21H28N4O/c26-20-13-19(23-21(24-20)18-7-4-10-22-14-18)17-8-11-25(12-9-17)15-16-5-2-1-3-6-16/h4,7,10,13-14,16-17H,1-3,5-6,8-9,11-12,15H2,(H,23,24,26)
InChIKeyRZCFLPIPGNETBO-UHFFFAOYSA-N
XLogP3.59
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(cyclohexylmethyl)piperidin-4-yl]-2-pyridin-3-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-[1-(cyclohexylmethyl)piperidin-4-yl]-2-pyridin-3-yl-1H-pyrimidin-6-one (CID 136673443) is 4-[1-(cyclohexylmethyl)piperidin-4-yl]-2-pyridin-3-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[1-(cyclohexylmethyl)piperidin-4-yl]-2-pyridin-3-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[1-(cyclohexylmethyl)piperidin-4-yl]-2-pyridin-3-yl-1H-pyrimidin-6-one is O=c1cc(C2CCN(CC3CCCCC3)CC2)nc(-c2cccnc2)[nH]1.
What is the InChIKey of 4-[1-(cyclohexylmethyl)piperidin-4-yl]-2-pyridin-3-yl-1H-pyrimidin-6-one?
The InChIKey is RZCFLPIPGNETBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O/c26-20-13-19(23-21(24-20)18-7-4-10-22-14-18)17-8-11-25(12-9-17)15-16-5-2-1-3-6-16/h4,7,10,13-14,16-17H,1-3,5-6,8-9,11-12,15H2,(H,23,24,26).
What are the key properties of 4-[1-(cyclohexylmethyl)piperidin-4-yl]-2-pyridin-3-yl-1H-pyrimidin-6-one?
4-[1-(cyclohexylmethyl)piperidin-4-yl]-2-pyridin-3-yl-1H-pyrimidin-6-one has a molecular weight of 352.48 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(cyclohexylmethyl)piperidin-4-yl]-2-pyridin-3-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136673443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).