3-[2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]acetyl]-1,3-oxazolidin-2-one

C20H23N3O3 — CID 8804709

IUPAC3-[2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]acetyl]-1,3-oxazolidin-2-one
SMILESO=C(CN1CCN(Cc2cccc3ccccc23)CC1)N1CCOC1=O
InChIInChI=1S/C20H23N3O3/c24-19(23-12-13-26-20(23)25)15-22-10-8-21(9-11-22)14-17-6-3-5-16-4-1-2-7-18(16)17/h1-7H,8-15H2
InChIKeyCFNBBBRTKNXTBE-UHFFFAOYSA-N
MW353.42 g/mol
LogP1.94
Rot. Bonds4

About 3-[2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]acetyl]-1,3-oxazolidin-2-one

3-[2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]acetyl]-1,3-oxazolidin-2-one (PubChem CID 8804709) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 3-[2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]acetyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]acetyl]-1,3-oxazolidin-2-one
PubChem CID8804709
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name3-[2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]acetyl]-1,3-oxazolidin-2-one
SMILESO=C(CN1CCN(Cc2cccc3ccccc23)CC1)N1CCOC1=O
InChIInChI=1S/C20H23N3O3/c24-19(23-12-13-26-20(23)25)15-22-10-8-21(9-11-22)14-17-6-3-5-16-4-1-2-7-18(16)17/h1-7H,8-15H2
InChIKeyCFNBBBRTKNXTBE-UHFFFAOYSA-N
XLogP1.94
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1,4-bis(naphthalen-1-ylmethyl)piperazine
CID 4846171
morpholin-4-yl-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone
CID 31695814
3-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]oxolan-2-one
CID 51311404
1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanone
CID 112801401
1-[2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-2-oxoethyl]pyridin-2-one
CID 9397792
1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]butan-1-one
CID 60601295
N-cyclohexyl-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]acetamide
CID 9046933
3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]-1,3-oxazolidin-2-one
CID 17476381
1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-3,3-diphenylpropan-1-one
CID 67588371
1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-4-phenylbutane-1,4-dione
CID 9397565
3-(4-benzylpent-4-enoyl)-1,3-oxazolidin-2-one
CID 175209647
3-[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
CID 70770021

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]acetyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]acetyl]-1,3-oxazolidin-2-one (CID 8804709) is 3-[2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]acetyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]acetyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]acetyl]-1,3-oxazolidin-2-one is O=C(CN1CCN(Cc2cccc3ccccc23)CC1)N1CCOC1=O.
What is the InChIKey of 3-[2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]acetyl]-1,3-oxazolidin-2-one?
The InChIKey is CFNBBBRTKNXTBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c24-19(23-12-13-26-20(23)25)15-22-10-8-21(9-11-22)14-17-6-3-5-16-4-1-2-7-18(16)17/h1-7H,8-15H2.
What are the key properties of 3-[2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]acetyl]-1,3-oxazolidin-2-one?
3-[2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]acetyl]-1,3-oxazolidin-2-one has a molecular weight of 353.42 g/mol, XLogP of 1.94, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]acetyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 8804709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).