1-[4-[4-(oxolan-2-ylmethoxy)benzoyl]piperazin-1-yl]ethanone

C18H24N2O4 — CID 78777666

IUPAC1-[4-[4-(oxolan-2-ylmethoxy)benzoyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2ccc(OCC3CCCO3)cc2)CC1
InChIInChI=1S/C18H24N2O4/c1-14(21)19-8-10-20(11-9-19)18(22)15-4-6-16(7-5-15)24-13-17-3-2-12-23-17/h4-7,17H,2-3,8-13H2,1H3
InChIKeyRGKPNZMYTOMPQM-UHFFFAOYSA-N
MW332.40 g/mol
LogP1.55
Rot. Bonds4

About 1-[4-[4-(oxolan-2-ylmethoxy)benzoyl]piperazin-1-yl]ethanone

1-[4-[4-(oxolan-2-ylmethoxy)benzoyl]piperazin-1-yl]ethanone (PubChem CID 78777666) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is 1-[4-[4-(oxolan-2-ylmethoxy)benzoyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[4-(oxolan-2-ylmethoxy)benzoyl]piperazin-1-yl]ethanone
PubChem CID78777666
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Name1-[4-[4-(oxolan-2-ylmethoxy)benzoyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2ccc(OCC3CCCO3)cc2)CC1
InChIInChI=1S/C18H24N2O4/c1-14(21)19-8-10-20(11-9-19)18(22)15-4-6-16(7-5-15)24-13-17-3-2-12-23-17/h4-7,17H,2-3,8-13H2,1H3
InChIKeyRGKPNZMYTOMPQM-UHFFFAOYSA-N
XLogP1.55
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2,2-dimethylmorpholin-4-yl)-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone
CID 97090718
(2,6-dimethylmorpholin-4-yl)-[4-(oxolan-2-ylmethoxy)phenyl]methanone
CID 78774258
[4-(2,3-dimethylphenyl)piperazin-1-yl]-[4-(oxolan-2-ylmethoxy)phenyl]methanone
CID 3280482
[(3R)-3-aminopyrrolidin-1-yl]-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone
CID 124699629
[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-[4-(oxolan-2-ylmethoxy)phenyl]methanone
CID 86908238
(3S)-1-[4-(oxolan-2-ylmethoxy)benzoyl]piperidine-3-carboxylic acid
CID 119113571
(3R)-3-methyl-1-[4-[[(2S)-oxolan-2-yl]methoxy]benzoyl]pyrrolidine-3-carboxylic acid
CID 125134053
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[4-(oxolan-2-ylmethoxy)phenyl]methanone
CID 120656262
4-[[(2R)-oxolan-2-yl]methoxy]-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]benzamide
CID 41412055
[4-(oxiran-2-ylmethoxy)phenyl]-pyrrolidin-1-ylmethanone
CID 146098594
[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone
CID 97013755
3-fluoro-1-[4-(oxolan-2-ylmethoxy)benzoyl]pyrrolidine-3-carboxylic acid
CID 119258668

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(oxolan-2-ylmethoxy)benzoyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[4-(oxolan-2-ylmethoxy)benzoyl]piperazin-1-yl]ethanone (CID 78777666) is 1-[4-[4-(oxolan-2-ylmethoxy)benzoyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[4-(oxolan-2-ylmethoxy)benzoyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[4-(oxolan-2-ylmethoxy)benzoyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(C(=O)c2ccc(OCC3CCCO3)cc2)CC1.
What is the InChIKey of 1-[4-[4-(oxolan-2-ylmethoxy)benzoyl]piperazin-1-yl]ethanone?
The InChIKey is RGKPNZMYTOMPQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-14(21)19-8-10-20(11-9-19)18(22)15-4-6-16(7-5-15)24-13-17-3-2-12-23-17/h4-7,17H,2-3,8-13H2,1H3.
What are the key properties of 1-[4-[4-(oxolan-2-ylmethoxy)benzoyl]piperazin-1-yl]ethanone?
1-[4-[4-(oxolan-2-ylmethoxy)benzoyl]piperazin-1-yl]ethanone has a molecular weight of 332.40 g/mol, XLogP of 1.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(oxolan-2-ylmethoxy)benzoyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 78777666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).