4-(1-pyrimidin-2-ylpiperidine-4-carbonyl)piperazin-2-one

C14H19N5O2 — CID 110090146

IUPAC4-(1-pyrimidin-2-ylpiperidine-4-carbonyl)piperazin-2-one
SMILESO=C1CN(C(=O)C2CCN(c3ncccn3)CC2)CCN1
InChIInChI=1S/C14H19N5O2/c20-12-10-19(9-6-15-12)13(21)11-2-7-18(8-3-11)14-16-4-1-5-17-14/h1,4-5,11H,2-3,6-10H2,(H,15,20)
InChIKeyKBBKQMAREHXXFW-UHFFFAOYSA-N
MW289.34 g/mol
LogP-0.35
Rot. Bonds2

About 4-(1-pyrimidin-2-ylpiperidine-4-carbonyl)piperazin-2-one

4-(1-pyrimidin-2-ylpiperidine-4-carbonyl)piperazin-2-one (PubChem CID 110090146) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is 4-(1-pyrimidin-2-ylpiperidine-4-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name4-(1-pyrimidin-2-ylpiperidine-4-carbonyl)piperazin-2-one
PubChem CID110090146
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name4-(1-pyrimidin-2-ylpiperidine-4-carbonyl)piperazin-2-one
SMILESO=C1CN(C(=O)C2CCN(c3ncccn3)CC2)CCN1
InChIInChI=1S/C14H19N5O2/c20-12-10-19(9-6-15-12)13(21)11-2-7-18(8-3-11)14-16-4-1-5-17-14/h1,4-5,11H,2-3,6-10H2,(H,15,20)
InChIKeyKBBKQMAREHXXFW-UHFFFAOYSA-N
XLogP-0.35
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(3R)-3-hydroxypyrrolidin-1-yl]-(1-pyrimidin-2-ylpiperidin-4-yl)methanone
CID 111561597
piperidin-4-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone;dihydrochloride
CID 119827947
3-(3-oxopiperazine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 103549664
4-(1-methylsulfonylpiperidine-4-carbonyl)piperazin-2-one
CID 35795581
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(1-pyrimidin-2-ylpiperidin-4-yl)methanone
CID 56812849
4-[(3S)-pyrrolidine-3-carbonyl]piperazin-2-one
CID 94915607
4-[(3R)-pyrrolidine-3-carbonyl]piperazin-2-one;hydrochloride
CID 130677789
4-(3-aminocyclopentanecarbonyl)piperazin-2-one
CID 66030479
[(3aR,7aR)-5-pyrimidin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-2-yl]-cyclobutylmethanone
CID 97402596
[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-(1-pyrimidin-2-ylpiperidin-4-yl)methanone
CID 11799370
(1-methylpyrrolidin-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 110855027
[1-(1-pyrimidin-2-ylpiperidine-3-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 134035000

Frequently Asked Questions

What is the IUPAC name of 4-(1-pyrimidin-2-ylpiperidine-4-carbonyl)piperazin-2-one?
The IUPAC name of 4-(1-pyrimidin-2-ylpiperidine-4-carbonyl)piperazin-2-one (CID 110090146) is 4-(1-pyrimidin-2-ylpiperidine-4-carbonyl)piperazin-2-one.
What is the SMILES notation for 4-(1-pyrimidin-2-ylpiperidine-4-carbonyl)piperazin-2-one?
The canonical SMILES for 4-(1-pyrimidin-2-ylpiperidine-4-carbonyl)piperazin-2-one is O=C1CN(C(=O)C2CCN(c3ncccn3)CC2)CCN1.
What is the InChIKey of 4-(1-pyrimidin-2-ylpiperidine-4-carbonyl)piperazin-2-one?
The InChIKey is KBBKQMAREHXXFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c20-12-10-19(9-6-15-12)13(21)11-2-7-18(8-3-11)14-16-4-1-5-17-14/h1,4-5,11H,2-3,6-10H2,(H,15,20).
What are the key properties of 4-(1-pyrimidin-2-ylpiperidine-4-carbonyl)piperazin-2-one?
4-(1-pyrimidin-2-ylpiperidine-4-carbonyl)piperazin-2-one has a molecular weight of 289.34 g/mol, XLogP of -0.35, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-pyrimidin-2-ylpiperidine-4-carbonyl)piperazin-2-one is sourced from PubChem (CID 110090146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).