ethane;1-[(4Z)-3-methylidene-4-[(Z)-pent-3-enylidene]-8-(1-pyrazin-2-ylpiperidin-4-yl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone

C27H41N5O — CID 143498362

IUPACethane;1-[(4Z)-3-methylidene-4-[(Z)-pent-3-enylidene]-8-(1-pyrazin-2-ylpiperidin-4-yl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone
SMILESC=C1/C(=C\C/C=C\C)C2(CCN(C3CCN(c4cnccn4)CC3)CC2)CN1C(C)=O.CC
InChIInChI=1S/C25H35N5O.C2H6/c1-4-5-6-7-23-20(2)30(21(3)31)19-25(23)10-16-28(17-11-25)22-8-14-29(15-9-22)24-18-26-12-13-27-24;1-2/h4-5,7,12-13,18,22H,2,6,8-11,14-17,19H2,1,3H3;1-2H3/b5-4-,23-7+;
InChIKeyNDHIHUJESIAUQT-FTTNTNIUSA-N
MW451.66 g/mol
LogP4.82
Rot. Bonds4

About ethane;1-[(4Z)-3-methylidene-4-[(Z)-pent-3-enylidene]-8-(1-pyrazin-2-ylpiperidin-4-yl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone

ethane;1-[(4Z)-3-methylidene-4-[(Z)-pent-3-enylidene]-8-(1-pyrazin-2-ylpiperidin-4-yl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone (PubChem CID 143498362) has the molecular formula C27H41N5O and a molecular weight of 451.66 g/mol. Its IUPAC name is ethane;1-[(4Z)-3-methylidene-4-[(Z)-pent-3-enylidene]-8-(1-pyrazin-2-ylpiperidin-4-yl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone.

Molecular Properties

Compound Nameethane;1-[(4Z)-3-methylidene-4-[(Z)-pent-3-enylidene]-8-(1-pyrazin-2-ylpiperidin-4-yl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone
PubChem CID143498362
Molecular FormulaC27H41N5O
Molecular Weight451.66 g/mol
Exact Mass451.33
IUPAC Nameethane;1-[(4Z)-3-methylidene-4-[(Z)-pent-3-enylidene]-8-(1-pyrazin-2-ylpiperidin-4-yl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone
SMILESC=C1/C(=C\C/C=C\C)C2(CCN(C3CCN(c4cnccn4)CC3)CC2)CN1C(C)=O.CC
InChIInChI=1S/C25H35N5O.C2H6/c1-4-5-6-7-23-20(2)30(21(3)31)19-25(23)10-16-28(17-11-25)22-8-14-29(15-9-22)24-18-26-12-13-27-24;1-2/h4-5,7,12-13,18,22H,2,6,8-11,14-17,19H2,1,3H3;1-2H3/b5-4-,23-7+;
InChIKeyNDHIHUJESIAUQT-FTTNTNIUSA-N
XLogP4.82
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.66
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethane;1-[(4Z)-3-methylidene-4-[(Z)-pent-3-enylidene]-8-(1-pyrazin-2-ylpiperidin-4-yl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;1-[(4Z)-3-methylidene-4-[(Z)-pent-3-enylidene]-8-(1-pyrazin-2-ylpiperidin-4-yl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone?
The IUPAC name of ethane;1-[(4Z)-3-methylidene-4-[(Z)-pent-3-enylidene]-8-(1-pyrazin-2-ylpiperidin-4-yl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone (CID 143498362) is ethane;1-[(4Z)-3-methylidene-4-[(Z)-pent-3-enylidene]-8-(1-pyrazin-2-ylpiperidin-4-yl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone.
What is the SMILES notation for ethane;1-[(4Z)-3-methylidene-4-[(Z)-pent-3-enylidene]-8-(1-pyrazin-2-ylpiperidin-4-yl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone?
The canonical SMILES for ethane;1-[(4Z)-3-methylidene-4-[(Z)-pent-3-enylidene]-8-(1-pyrazin-2-ylpiperidin-4-yl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone is C=C1/C(=C\C/C=C\C)C2(CCN(C3CCN(c4cnccn4)CC3)CC2)CN1C(C)=O.CC.
What is the InChIKey of ethane;1-[(4Z)-3-methylidene-4-[(Z)-pent-3-enylidene]-8-(1-pyrazin-2-ylpiperidin-4-yl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone?
The InChIKey is NDHIHUJESIAUQT-FTTNTNIUSA-N. The full InChI is InChI=1S/C25H35N5O.C2H6/c1-4-5-6-7-23-20(2)30(21(3)31)19-25(23)10-16-28(17-11-25)22-8-14-29(15-9-22)24-18-26-12-13-27-24;1-2/h4-5,7,12-13,18,22H,2,6,8-11,14-17,19H2,1,3H3;1-2H3/b5-4-,23-7+;.
What are the key properties of ethane;1-[(4Z)-3-methylidene-4-[(Z)-pent-3-enylidene]-8-(1-pyrazin-2-ylpiperidin-4-yl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone?
ethane;1-[(4Z)-3-methylidene-4-[(Z)-pent-3-enylidene]-8-(1-pyrazin-2-ylpiperidin-4-yl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone has a molecular weight of 451.66 g/mol, XLogP of 4.82, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[(4Z)-3-methylidene-4-[(Z)-pent-3-enylidene]-8-(1-pyrazin-2-ylpiperidin-4-yl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone is sourced from PubChem (CID 143498362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).