5-(3-chlorophenyl)-4-hydroxy-2-piperidin-1-yl-1H-pyrimidin-6-one

C15H16ClN3O2 — CID 79431771

IUPAC5-(3-chlorophenyl)-4-hydroxy-2-piperidin-1-yl-1H-pyrimidin-6-one
SMILESO=c1[nH]c(N2CCCCC2)nc(O)c1-c1cccc(Cl)c1
InChIInChI=1S/C15H16ClN3O2/c16-11-6-4-5-10(9-11)12-13(20)17-15(18-14(12)21)19-7-2-1-3-8-19/h4-6,9H,1-3,7-8H2,(H2,17,18,20,21)
InChIKeyNFNRIAZGWDBMEJ-UHFFFAOYSA-N
MW305.76 g/mol
LogP2.79
Rot. Bonds2

About 5-(3-chlorophenyl)-4-hydroxy-2-piperidin-1-yl-1H-pyrimidin-6-one

5-(3-chlorophenyl)-4-hydroxy-2-piperidin-1-yl-1H-pyrimidin-6-one (PubChem CID 79431771) has the molecular formula C15H16ClN3O2 and a molecular weight of 305.76 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-4-hydroxy-2-piperidin-1-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(3-chlorophenyl)-4-hydroxy-2-piperidin-1-yl-1H-pyrimidin-6-one
PubChem CID79431771
Molecular FormulaC15H16ClN3O2
Molecular Weight305.76 g/mol
Exact Mass305.09
IUPAC Name5-(3-chlorophenyl)-4-hydroxy-2-piperidin-1-yl-1H-pyrimidin-6-one
SMILESO=c1[nH]c(N2CCCCC2)nc(O)c1-c1cccc(Cl)c1
InChIInChI=1S/C15H16ClN3O2/c16-11-6-4-5-10(9-11)12-13(20)17-15(18-14(12)21)19-7-2-1-3-8-19/h4-6,9H,1-3,7-8H2,(H2,17,18,20,21)
InChIKeyNFNRIAZGWDBMEJ-UHFFFAOYSA-N
XLogP2.79
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.76
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-4-hydroxy-2-piperidin-1-yl-1H-pyrimidin-6-one?
The IUPAC name of 5-(3-chlorophenyl)-4-hydroxy-2-piperidin-1-yl-1H-pyrimidin-6-one (CID 79431771) is 5-(3-chlorophenyl)-4-hydroxy-2-piperidin-1-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(3-chlorophenyl)-4-hydroxy-2-piperidin-1-yl-1H-pyrimidin-6-one?
The canonical SMILES for 5-(3-chlorophenyl)-4-hydroxy-2-piperidin-1-yl-1H-pyrimidin-6-one is O=c1[nH]c(N2CCCCC2)nc(O)c1-c1cccc(Cl)c1.
What is the InChIKey of 5-(3-chlorophenyl)-4-hydroxy-2-piperidin-1-yl-1H-pyrimidin-6-one?
The InChIKey is NFNRIAZGWDBMEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O2/c16-11-6-4-5-10(9-11)12-13(20)17-15(18-14(12)21)19-7-2-1-3-8-19/h4-6,9H,1-3,7-8H2,(H2,17,18,20,21).
What are the key properties of 5-(3-chlorophenyl)-4-hydroxy-2-piperidin-1-yl-1H-pyrimidin-6-one?
5-(3-chlorophenyl)-4-hydroxy-2-piperidin-1-yl-1H-pyrimidin-6-one has a molecular weight of 305.76 g/mol, XLogP of 2.79, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-4-hydroxy-2-piperidin-1-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 79431771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).