[4-(propylamino)oxolan-3-yl]-(4-prop-2-ynylpiperazin-1-yl)methanone

C15H25N3O2 — CID 66254425

IUPAC[4-(propylamino)oxolan-3-yl]-(4-prop-2-ynylpiperazin-1-yl)methanone
SMILESC#CCN1CCN(C(=O)C2COCC2NCCC)CC1
InChIInChI=1S/C15H25N3O2/c1-3-5-16-14-12-20-11-13(14)15(19)18-9-7-17(6-4-2)8-10-18/h2,13-14,16H,3,5-12H2,1H3
InChIKeyDTAVVGIMJHSMFZ-UHFFFAOYSA-N
MW279.38 g/mol
LogP-0.22
Rot. Bonds5

About [4-(propylamino)oxolan-3-yl]-(4-prop-2-ynylpiperazin-1-yl)methanone

[4-(propylamino)oxolan-3-yl]-(4-prop-2-ynylpiperazin-1-yl)methanone (PubChem CID 66254425) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is [4-(propylamino)oxolan-3-yl]-(4-prop-2-ynylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[4-(propylamino)oxolan-3-yl]-(4-prop-2-ynylpiperazin-1-yl)methanone
PubChem CID66254425
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name[4-(propylamino)oxolan-3-yl]-(4-prop-2-ynylpiperazin-1-yl)methanone
SMILESC#CCN1CCN(C(=O)C2COCC2NCCC)CC1
InChIInChI=1S/C15H25N3O2/c1-3-5-16-14-12-20-11-13(14)15(19)18-9-7-17(6-4-2)8-10-18/h2,13-14,16H,3,5-12H2,1H3
InChIKeyDTAVVGIMJHSMFZ-UHFFFAOYSA-N
XLogP-0.22
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-(propylamino)oxolan-3-yl]-(4-prop-2-ynylpiperazin-1-yl)methanone?
The IUPAC name of [4-(propylamino)oxolan-3-yl]-(4-prop-2-ynylpiperazin-1-yl)methanone (CID 66254425) is [4-(propylamino)oxolan-3-yl]-(4-prop-2-ynylpiperazin-1-yl)methanone.
What is the SMILES notation for [4-(propylamino)oxolan-3-yl]-(4-prop-2-ynylpiperazin-1-yl)methanone?
The canonical SMILES for [4-(propylamino)oxolan-3-yl]-(4-prop-2-ynylpiperazin-1-yl)methanone is C#CCN1CCN(C(=O)C2COCC2NCCC)CC1.
What is the InChIKey of [4-(propylamino)oxolan-3-yl]-(4-prop-2-ynylpiperazin-1-yl)methanone?
The InChIKey is DTAVVGIMJHSMFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-3-5-16-14-12-20-11-13(14)15(19)18-9-7-17(6-4-2)8-10-18/h2,13-14,16H,3,5-12H2,1H3.
What are the key properties of [4-(propylamino)oxolan-3-yl]-(4-prop-2-ynylpiperazin-1-yl)methanone?
[4-(propylamino)oxolan-3-yl]-(4-prop-2-ynylpiperazin-1-yl)methanone has a molecular weight of 279.38 g/mol, XLogP of -0.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(propylamino)oxolan-3-yl]-(4-prop-2-ynylpiperazin-1-yl)methanone is sourced from PubChem (CID 66254425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).