4-(oxolane-2-carbonyl)-1-pyridin-3-ylpiperazin-2-one

C14H17N3O3 — CID 126855628

IUPAC4-(oxolane-2-carbonyl)-1-pyridin-3-ylpiperazin-2-one
SMILESO=C(C1CCCO1)N1CCN(c2cccnc2)C(=O)C1
InChIInChI=1S/C14H17N3O3/c18-13-10-16(14(19)12-4-2-8-20-12)6-7-17(13)11-3-1-5-15-9-11/h1,3,5,9,12H,2,4,6-8,10H2
InChIKeyRHMUNHWRVIKSNX-UHFFFAOYSA-N
MW275.31 g/mol
LogP0.44
Rot. Bonds2

About 4-(oxolane-2-carbonyl)-1-pyridin-3-ylpiperazin-2-one

4-(oxolane-2-carbonyl)-1-pyridin-3-ylpiperazin-2-one (PubChem CID 126855628) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 4-(oxolane-2-carbonyl)-1-pyridin-3-ylpiperazin-2-one.

Molecular Properties

Compound Name4-(oxolane-2-carbonyl)-1-pyridin-3-ylpiperazin-2-one
PubChem CID126855628
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name4-(oxolane-2-carbonyl)-1-pyridin-3-ylpiperazin-2-one
SMILESO=C(C1CCCO1)N1CCN(c2cccnc2)C(=O)C1
InChIInChI=1S/C14H17N3O3/c18-13-10-16(14(19)12-4-2-8-20-12)6-7-17(13)11-3-1-5-15-9-11/h1,3,5,9,12H,2,4,6-8,10H2
InChIKeyRHMUNHWRVIKSNX-UHFFFAOYSA-N
XLogP0.44
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-pyridin-3-yl-4-(2-pyridin-3-ylacetyl)piperazin-2-one
CID 126851696
4-(pyridine-2-carbonyl)-1-pyridin-3-ylpiperazin-2-one
CID 126855620
[(2S)-oxolan-2-yl]-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
CID 136580768
4-(4-morpholin-4-ylsulfonylbenzoyl)-1-pyridin-3-ylpiperazin-2-one
CID 126855625
3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl(oxolan-2-yl)methanone
CID 110646755
[(2R)-oxolan-2-yl]-(1-pyridin-3-ylspiro[2H-indole-3,4'-piperidine]-1'-yl)methanone;2,2,2-trifluoroacetic acid
CID 155843652
1-[4-(oxolane-2-carbonyl)piperazin-1-yl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanone
CID 134059948
oxolan-2-yl-[4-[4-(pyridin-3-ylmethoxy)benzoyl]piperazin-1-yl]methanone
CID 47024168
4-[3-(2,6-dichlorophenyl)propanoyl]-1-pyridin-3-ylpiperazin-2-one
CID 131702383
oxolan-2-yl-[4-(4-pyrrolidin-1-ylphenyl)piperazin-1-yl]methanone
CID 113078894
1-(2-methylpropyl)-4-(oxolane-2-carbonyl)-6-(pyridin-3-ylmethoxy)-1,4-diazepan-2-one
CID 45161265
4-[(2S)-oxolane-2-carbonyl]-1,4-diazepan-2-one
CID 103872787

Frequently Asked Questions

What is the IUPAC name of 4-(oxolane-2-carbonyl)-1-pyridin-3-ylpiperazin-2-one?
The IUPAC name of 4-(oxolane-2-carbonyl)-1-pyridin-3-ylpiperazin-2-one (CID 126855628) is 4-(oxolane-2-carbonyl)-1-pyridin-3-ylpiperazin-2-one.
What is the SMILES notation for 4-(oxolane-2-carbonyl)-1-pyridin-3-ylpiperazin-2-one?
The canonical SMILES for 4-(oxolane-2-carbonyl)-1-pyridin-3-ylpiperazin-2-one is O=C(C1CCCO1)N1CCN(c2cccnc2)C(=O)C1.
What is the InChIKey of 4-(oxolane-2-carbonyl)-1-pyridin-3-ylpiperazin-2-one?
The InChIKey is RHMUNHWRVIKSNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c18-13-10-16(14(19)12-4-2-8-20-12)6-7-17(13)11-3-1-5-15-9-11/h1,3,5,9,12H,2,4,6-8,10H2.
What are the key properties of 4-(oxolane-2-carbonyl)-1-pyridin-3-ylpiperazin-2-one?
4-(oxolane-2-carbonyl)-1-pyridin-3-ylpiperazin-2-one has a molecular weight of 275.31 g/mol, XLogP of 0.44, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxolane-2-carbonyl)-1-pyridin-3-ylpiperazin-2-one is sourced from PubChem (CID 126855628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).