1-methyl-8-[(E)-3-phenylprop-2-enyl]-3-(3-pyridin-4-ylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

C25H30N4O2 — CID 26135389

IUPAC1-methyl-8-[(E)-3-phenylprop-2-enyl]-3-(3-pyridin-4-ylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCN1C(=O)N(CCCc2ccncc2)C(=O)C12CCN(C/C=C/c1ccccc1)CC2
InChIInChI=1S/C25H30N4O2/c1-27-24(31)29(18-6-10-22-11-15-26-16-12-22)23(30)25(27)13-19-28(20-14-25)17-5-9-21-7-3-2-4-8-21/h2-5,7-9,11-12,15-16H,6,10,13-14,17-20H2,1H3/b9-5+
InChIKeyQNBOYDKRSFWPRL-WEVVVXLNSA-N
MW418.54 g/mol
LogP3.46
Rot. Bonds7

About 1-methyl-8-[(E)-3-phenylprop-2-enyl]-3-(3-pyridin-4-ylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

1-methyl-8-[(E)-3-phenylprop-2-enyl]-3-(3-pyridin-4-ylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 26135389) has the molecular formula C25H30N4O2 and a molecular weight of 418.54 g/mol. Its IUPAC name is 1-methyl-8-[(E)-3-phenylprop-2-enyl]-3-(3-pyridin-4-ylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name1-methyl-8-[(E)-3-phenylprop-2-enyl]-3-(3-pyridin-4-ylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID26135389
Molecular FormulaC25H30N4O2
Molecular Weight418.54 g/mol
Exact Mass418.24
IUPAC Name1-methyl-8-[(E)-3-phenylprop-2-enyl]-3-(3-pyridin-4-ylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCN1C(=O)N(CCCc2ccncc2)C(=O)C12CCN(C/C=C/c1ccccc1)CC2
InChIInChI=1S/C25H30N4O2/c1-27-24(31)29(18-6-10-22-11-15-26-16-12-22)23(30)25(27)13-19-28(20-14-25)17-5-9-21-7-3-2-4-8-21/h2-5,7-9,11-12,15-16H,6,10,13-14,17-20H2,1H3/b9-5+
InChIKeyQNBOYDKRSFWPRL-WEVVVXLNSA-N
XLogP3.46
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-3-(2-phenylethyl)-8-(pyridin-4-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26234591
1-methyl-3-(3-pyridin-4-ylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 118759730
8-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]-1-methyl-3-(3-pyridin-4-ylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26214852
1-(2-methoxyethyl)-8-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-3-(3-pyridin-3-ylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26136878
1-methyl-3-(2-phenylethyl)-8-(pyridin-3-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26147707
1-(3-methylbutyl)-8-(pyridin-2-ylmethyl)-3-(3-pyridin-4-ylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26140687
1-methyl-3-(2-phenylethyl)-8-(thiophen-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26136009
3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N-(pyridin-4-ylmethyl)propanamide
CID 109023804
1-methyl-3-(2-phenylethyl)-8-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26136085
8-(2,3-dihydro-1H-inden-2-yl)-1-methyl-3-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26221523
1-(3-methylbutyl)-8-[(2R)-1-methylsulfanylpropan-2-yl]-3-(3-pyridin-4-ylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26224271
8-(1H-indol-3-ylmethyl)-1-methyl-3-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26225594

Frequently Asked Questions

What is the IUPAC name of 1-methyl-8-[(E)-3-phenylprop-2-enyl]-3-(3-pyridin-4-ylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 1-methyl-8-[(E)-3-phenylprop-2-enyl]-3-(3-pyridin-4-ylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 26135389) is 1-methyl-8-[(E)-3-phenylprop-2-enyl]-3-(3-pyridin-4-ylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 1-methyl-8-[(E)-3-phenylprop-2-enyl]-3-(3-pyridin-4-ylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 1-methyl-8-[(E)-3-phenylprop-2-enyl]-3-(3-pyridin-4-ylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is CN1C(=O)N(CCCc2ccncc2)C(=O)C12CCN(C/C=C/c1ccccc1)CC2.
What is the InChIKey of 1-methyl-8-[(E)-3-phenylprop-2-enyl]-3-(3-pyridin-4-ylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is QNBOYDKRSFWPRL-WEVVVXLNSA-N. The full InChI is InChI=1S/C25H30N4O2/c1-27-24(31)29(18-6-10-22-11-15-26-16-12-22)23(30)25(27)13-19-28(20-14-25)17-5-9-21-7-3-2-4-8-21/h2-5,7-9,11-12,15-16H,6,10,13-14,17-20H2,1H3/b9-5+.
What are the key properties of 1-methyl-8-[(E)-3-phenylprop-2-enyl]-3-(3-pyridin-4-ylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
1-methyl-8-[(E)-3-phenylprop-2-enyl]-3-(3-pyridin-4-ylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 418.54 g/mol, XLogP of 3.46, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-8-[(E)-3-phenylprop-2-enyl]-3-(3-pyridin-4-ylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 26135389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).