1-ethyl-8-(1-hydroxypropan-2-yl)-3-(3-pyridin-3-ylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

C20H30N4O3 — CID 45160047

IUPAC1-ethyl-8-(1-hydroxypropan-2-yl)-3-(3-pyridin-3-ylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCCN1C(=O)N(CCCc2cccnc2)C(=O)C12CCN(C(C)CO)CC2
InChIInChI=1S/C20H30N4O3/c1-3-24-19(27)23(11-5-7-17-6-4-10-21-14-17)18(26)20(24)8-12-22(13-9-20)16(2)15-25/h4,6,10,14,16,25H,3,5,7-9,11-13,15H2,1-2H3
InChIKeyOVVLFBGFKXPFMI-UHFFFAOYSA-N
MW374.49 g/mol
LogP1.51
Rot. Bonds7

About 1-ethyl-8-(1-hydroxypropan-2-yl)-3-(3-pyridin-3-ylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

1-ethyl-8-(1-hydroxypropan-2-yl)-3-(3-pyridin-3-ylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 45160047) has the molecular formula C20H30N4O3 and a molecular weight of 374.49 g/mol. Its IUPAC name is 1-ethyl-8-(1-hydroxypropan-2-yl)-3-(3-pyridin-3-ylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name1-ethyl-8-(1-hydroxypropan-2-yl)-3-(3-pyridin-3-ylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID45160047
Molecular FormulaC20H30N4O3
Molecular Weight374.49 g/mol
Exact Mass374.23
IUPAC Name1-ethyl-8-(1-hydroxypropan-2-yl)-3-(3-pyridin-3-ylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCCN1C(=O)N(CCCc2cccnc2)C(=O)C12CCN(C(C)CO)CC2
InChIInChI=1S/C20H30N4O3/c1-3-24-19(27)23(11-5-7-17-6-4-10-21-14-17)18(26)20(24)8-12-22(13-9-20)16(2)15-25/h4,6,10,14,16,25H,3,5,7-9,11-13,15H2,1-2H3
InChIKeyOVVLFBGFKXPFMI-UHFFFAOYSA-N
XLogP1.51
TPSA76.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-8-[(2R)-1-methylsulfanylpropan-2-yl]-3-(3-pyridin-3-ylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26143532
1-ethyl-8-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-3-(3-pyridin-3-ylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26136451
1-ethyl-8-(2-methylpropyl)-3-(3-pyridin-3-ylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26214490
3-[2-(dimethylamino)ethyl]-1-ethyl-8-(1-pyridin-3-ylpropan-2-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 45163207
8-[(2S)-1-hydroxypropan-2-yl]-1-(2-methoxyethyl)-3-(pyridin-3-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26220241
1-ethyl-3-(3-pyridin-3-ylpropyl)-8-[(3S)-thiolan-3-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26136624
1-ethyl-3-(3-pyridin-3-ylpropyl)-8-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 45160672
1-ethyl-3-[(3-methoxyphenyl)methyl]-8-[(2S)-1-pyridin-3-ylpropan-2-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26143379
8-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(2-methylpropyl)-3-(3-pyridin-3-ylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26225610
8-[(3,5-dimethylphenyl)methyl]-1-(2-methoxyethyl)-3-(3-pyridin-3-ylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26137235
8-[(2R)-1-hydroxypropan-2-yl]-1-(2-phenylethyl)-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26214497
1-benzyl-8-cyclopentyl-3-(3-pyridin-3-ylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26143131

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-8-(1-hydroxypropan-2-yl)-3-(3-pyridin-3-ylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 1-ethyl-8-(1-hydroxypropan-2-yl)-3-(3-pyridin-3-ylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 45160047) is 1-ethyl-8-(1-hydroxypropan-2-yl)-3-(3-pyridin-3-ylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 1-ethyl-8-(1-hydroxypropan-2-yl)-3-(3-pyridin-3-ylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 1-ethyl-8-(1-hydroxypropan-2-yl)-3-(3-pyridin-3-ylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is CCN1C(=O)N(CCCc2cccnc2)C(=O)C12CCN(C(C)CO)CC2.
What is the InChIKey of 1-ethyl-8-(1-hydroxypropan-2-yl)-3-(3-pyridin-3-ylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is OVVLFBGFKXPFMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O3/c1-3-24-19(27)23(11-5-7-17-6-4-10-21-14-17)18(26)20(24)8-12-22(13-9-20)16(2)15-25/h4,6,10,14,16,25H,3,5,7-9,11-13,15H2,1-2H3.
What are the key properties of 1-ethyl-8-(1-hydroxypropan-2-yl)-3-(3-pyridin-3-ylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
1-ethyl-8-(1-hydroxypropan-2-yl)-3-(3-pyridin-3-ylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 374.49 g/mol, XLogP of 1.51, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-8-(1-hydroxypropan-2-yl)-3-(3-pyridin-3-ylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 45160047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).