[4-(methylamino)oxolan-3-yl]-(4-prop-2-enylpiperazin-1-yl)methanone

C13H23N3O2 — CID 66266429

IUPAC[4-(methylamino)oxolan-3-yl]-(4-prop-2-enylpiperazin-1-yl)methanone
SMILESC=CCN1CCN(C(=O)C2COCC2NC)CC1
InChIInChI=1S/C13H23N3O2/c1-3-4-15-5-7-16(8-6-15)13(17)11-9-18-10-12(11)14-2/h3,11-12,14H,1,4-10H2,2H3
InChIKeyJGRAMMJHDJIFQT-UHFFFAOYSA-N
MW253.35 g/mol
LogP-0.45
Rot. Bonds4

About [4-(methylamino)oxolan-3-yl]-(4-prop-2-enylpiperazin-1-yl)methanone

[4-(methylamino)oxolan-3-yl]-(4-prop-2-enylpiperazin-1-yl)methanone (PubChem CID 66266429) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is [4-(methylamino)oxolan-3-yl]-(4-prop-2-enylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[4-(methylamino)oxolan-3-yl]-(4-prop-2-enylpiperazin-1-yl)methanone
PubChem CID66266429
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name[4-(methylamino)oxolan-3-yl]-(4-prop-2-enylpiperazin-1-yl)methanone
SMILESC=CCN1CCN(C(=O)C2COCC2NC)CC1
InChIInChI=1S/C13H23N3O2/c1-3-4-15-5-7-16(8-6-15)13(17)11-9-18-10-12(11)14-2/h3,11-12,14H,1,4-10H2,2H3
InChIKeyJGRAMMJHDJIFQT-UHFFFAOYSA-N
XLogP-0.45
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(4-hydroxypiperidin-1-yl)-[4-(methylamino)oxolan-3-yl]methanone
CID 66267148
2-methyl-1-[4-[4-(methylamino)oxolane-3-carbonyl]piperazin-1-yl]propan-1-one
CID 66267388
1-[4-[4-(methylamino)oxolane-3-carbonyl]-1,4-diazepan-1-yl]propan-1-one
CID 66265829
[4-(methylamino)oxolan-3-yl]-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
CID 66265218
3-[1-[4-(methylamino)oxolane-3-carbonyl]piperidin-4-yl]propanoic acid
CID 66267039
(4-ethyl-3-methylpiperazin-1-yl)-[4-(methylamino)oxolan-3-yl]methanone
CID 66265663
N-ethyl-1-[4-(methylamino)oxolane-3-carbonyl]piperidine-4-carboxamide
CID 66267202
cyclopropyl-(4-prop-2-enylpiperazin-1-yl)methanone
CID 6467866
(3-hydroxypiperidin-1-yl)-[4-(methylamino)oxolan-3-yl]methanone
CID 66267351
[4-(ethylamino)oxolan-3-yl]-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 66258499
1-[4-(methylamino)oxolan-3-yl]prop-2-en-1-one
CID 116561380
[4-(methylamino)oxolan-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 66267143

Frequently Asked Questions

What is the IUPAC name of [4-(methylamino)oxolan-3-yl]-(4-prop-2-enylpiperazin-1-yl)methanone?
The IUPAC name of [4-(methylamino)oxolan-3-yl]-(4-prop-2-enylpiperazin-1-yl)methanone (CID 66266429) is [4-(methylamino)oxolan-3-yl]-(4-prop-2-enylpiperazin-1-yl)methanone.
What is the SMILES notation for [4-(methylamino)oxolan-3-yl]-(4-prop-2-enylpiperazin-1-yl)methanone?
The canonical SMILES for [4-(methylamino)oxolan-3-yl]-(4-prop-2-enylpiperazin-1-yl)methanone is C=CCN1CCN(C(=O)C2COCC2NC)CC1.
What is the InChIKey of [4-(methylamino)oxolan-3-yl]-(4-prop-2-enylpiperazin-1-yl)methanone?
The InChIKey is JGRAMMJHDJIFQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-3-4-15-5-7-16(8-6-15)13(17)11-9-18-10-12(11)14-2/h3,11-12,14H,1,4-10H2,2H3.
What are the key properties of [4-(methylamino)oxolan-3-yl]-(4-prop-2-enylpiperazin-1-yl)methanone?
[4-(methylamino)oxolan-3-yl]-(4-prop-2-enylpiperazin-1-yl)methanone has a molecular weight of 253.35 g/mol, XLogP of -0.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methylamino)oxolan-3-yl]-(4-prop-2-enylpiperazin-1-yl)methanone is sourced from PubChem (CID 66266429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).