[4-(1,6-naphthyridin-8-yl)piperazin-1-yl]-(oxolan-2-yl)methanone

C17H20N4O2 — CID 91953490

IUPAC[4-(1,6-naphthyridin-8-yl)piperazin-1-yl]-(oxolan-2-yl)methanone
SMILESO=C(C1CCCO1)N1CCN(c2cncc3cccnc23)CC1
InChIInChI=1S/C17H20N4O2/c22-17(15-4-2-10-23-15)21-8-6-20(7-9-21)14-12-18-11-13-3-1-5-19-16(13)14/h1,3,5,11-12,15H,2,4,6-10H2
InChIKeyAHRKYJWDJHQDRS-UHFFFAOYSA-N
MW312.37 g/mol
LogP1.46
Rot. Bonds2

About [4-(1,6-naphthyridin-8-yl)piperazin-1-yl]-(oxolan-2-yl)methanone

[4-(1,6-naphthyridin-8-yl)piperazin-1-yl]-(oxolan-2-yl)methanone (PubChem CID 91953490) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is [4-(1,6-naphthyridin-8-yl)piperazin-1-yl]-(oxolan-2-yl)methanone.

Molecular Properties

Compound Name[4-(1,6-naphthyridin-8-yl)piperazin-1-yl]-(oxolan-2-yl)methanone
PubChem CID91953490
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name[4-(1,6-naphthyridin-8-yl)piperazin-1-yl]-(oxolan-2-yl)methanone
SMILESO=C(C1CCCO1)N1CCN(c2cncc3cccnc23)CC1
InChIInChI=1S/C17H20N4O2/c22-17(15-4-2-10-23-15)21-8-6-20(7-9-21)14-12-18-11-13-3-1-5-19-16(13)14/h1,3,5,11-12,15H,2,4,6-10H2
InChIKeyAHRKYJWDJHQDRS-UHFFFAOYSA-N
XLogP1.46
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

oxan-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 110854880
[4-(2-fluorophenyl)piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 40572583
[4-(2-methylphenyl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 27233042
[4-(6-chloropyrazin-2-yl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 95243006
[(2S)-oxolan-2-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 95129829
oxolan-2-yl-(4-quinolin-2-ylpiperazin-1-yl)methanone
CID 108741501
oxolan-2-yl-(4-quinazolin-6-ylpiperazin-1-yl)methanone
CID 126894159
3-[6-[4-(oxolane-2-carbonyl)piperazin-1-yl]-1,7-naphthyridin-8-yl]benzonitrile
CID 10341658
[(2S)-oxolan-2-yl]-[4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 95875384
oxolan-2-yl-[4-(4-pyrrolidin-1-ylphenyl)piperazin-1-yl]methanone
CID 113078894
[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 95242996
[4-(2,4-dichlorophenyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 113080191

Frequently Asked Questions

What is the IUPAC name of [4-(1,6-naphthyridin-8-yl)piperazin-1-yl]-(oxolan-2-yl)methanone?
The IUPAC name of [4-(1,6-naphthyridin-8-yl)piperazin-1-yl]-(oxolan-2-yl)methanone (CID 91953490) is [4-(1,6-naphthyridin-8-yl)piperazin-1-yl]-(oxolan-2-yl)methanone.
What is the SMILES notation for [4-(1,6-naphthyridin-8-yl)piperazin-1-yl]-(oxolan-2-yl)methanone?
The canonical SMILES for [4-(1,6-naphthyridin-8-yl)piperazin-1-yl]-(oxolan-2-yl)methanone is O=C(C1CCCO1)N1CCN(c2cncc3cccnc23)CC1.
What is the InChIKey of [4-(1,6-naphthyridin-8-yl)piperazin-1-yl]-(oxolan-2-yl)methanone?
The InChIKey is AHRKYJWDJHQDRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c22-17(15-4-2-10-23-15)21-8-6-20(7-9-21)14-12-18-11-13-3-1-5-19-16(13)14/h1,3,5,11-12,15H,2,4,6-10H2.
What are the key properties of [4-(1,6-naphthyridin-8-yl)piperazin-1-yl]-(oxolan-2-yl)methanone?
[4-(1,6-naphthyridin-8-yl)piperazin-1-yl]-(oxolan-2-yl)methanone has a molecular weight of 312.37 g/mol, XLogP of 1.46, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,6-naphthyridin-8-yl)piperazin-1-yl]-(oxolan-2-yl)methanone is sourced from PubChem (CID 91953490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).