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

C9H13N3O — CID 83846397

IUPAC6-piperidin-2-yl-1H-pyrimidin-2-one
SMILESO=c1nccc(C2CCCCN2)[nH]1
InChIInChI=1S/C9H13N3O/c13-9-11-6-4-8(12-9)7-3-1-2-5-10-7/h4,6-7,10H,1-3,5H2,(H,11,12,13)
InChIKeyIKSJYGACUQIZQK-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.58
Rot. Bonds1

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

6-piperidin-2-yl-1H-pyrimidin-2-one (PubChem CID 83846397) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 6-piperidin-2-yl-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-piperidin-2-yl-1H-pyrimidin-2-one
PubChem CID83846397
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name6-piperidin-2-yl-1H-pyrimidin-2-one
SMILESO=c1nccc(C2CCCCN2)[nH]1
InChIInChI=1S/C9H13N3O/c13-9-11-6-4-8(12-9)7-3-1-2-5-10-7/h4,6-7,10H,1-3,5H2,(H,11,12,13)
InChIKeyIKSJYGACUQIZQK-UHFFFAOYSA-N
XLogP0.58
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2S)-piperidin-2-yl]pyridine-4-carboxylic acid
CID 97046760
5-piperidin-2-yl-1H-pyrimidine-2,4-dione
CID 115020167
N-methyl-4-[(2S)-piperidin-2-yl]pyrimidin-2-amine
CID 95827769
6-piperidin-2-ylquinoxaline
CID 171487792
2-(5-phenyl-1H-pyrrol-2-yl)piperidine
CID 141234725
3-piperidin-2-yl-1,2-oxazole
CID 57061053
5-pyrrolidin-2-yl-1H-pyrrol-2-ol
CID 130002366
2-[(2R)-pyrrolidin-2-yl]pyridine
CID 7141590
5-piperidin-2-ylpyrimidin-2-amine
CID 82409904
3-[(2S)-piperidin-2-yl]-1,2-oxazole;hydrochloride
CID 154577410
methyl 2-[(2S)-piperidin-2-yl]pyridine-4-carboxylate
CID 131408297
4-fluoro-2-[(2R)-pyrrolidin-2-yl]pyridine
CID 130713831

Frequently Asked Questions

What is the IUPAC name of 6-piperidin-2-yl-1H-pyrimidin-2-one?
The IUPAC name of 6-piperidin-2-yl-1H-pyrimidin-2-one (CID 83846397) is 6-piperidin-2-yl-1H-pyrimidin-2-one.
What is the SMILES notation for 6-piperidin-2-yl-1H-pyrimidin-2-one?
The canonical SMILES for 6-piperidin-2-yl-1H-pyrimidin-2-one is O=c1nccc(C2CCCCN2)[nH]1.
What is the InChIKey of 6-piperidin-2-yl-1H-pyrimidin-2-one?
The InChIKey is IKSJYGACUQIZQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c13-9-11-6-4-8(12-9)7-3-1-2-5-10-7/h4,6-7,10H,1-3,5H2,(H,11,12,13).
What are the key properties of 6-piperidin-2-yl-1H-pyrimidin-2-one?
6-piperidin-2-yl-1H-pyrimidin-2-one has a molecular weight of 179.22 g/mol, XLogP of 0.58, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-piperidin-2-yl-1H-pyrimidin-2-one is sourced from PubChem (CID 83846397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).