3-(cyclopropylmethyl)-1-(2-methylpropyl)-8-(2-pyridin-3-ylacetyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

C22H30N4O3 — CID 166617344

IUPAC3-(cyclopropylmethyl)-1-(2-methylpropyl)-8-(2-pyridin-3-ylacetyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCC(C)CN1C(=O)N(CC2CC2)C(=O)C12CCN(C(=O)Cc1cccnc1)CC2
InChIInChI=1S/C22H30N4O3/c1-16(2)14-26-21(29)25(15-17-5-6-17)20(28)22(26)7-10-24(11-8-22)19(27)12-18-4-3-9-23-13-18/h3-4,9,13,16-17H,5-8,10-12,14-15H2,1-2H3
InChIKeyKQTKFWPQIDCKAV-UHFFFAOYSA-N
MW398.51 g/mol
LogP2.32
Rot. Bonds6

About 3-(cyclopropylmethyl)-1-(2-methylpropyl)-8-(2-pyridin-3-ylacetyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

3-(cyclopropylmethyl)-1-(2-methylpropyl)-8-(2-pyridin-3-ylacetyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 166617344) has the molecular formula C22H30N4O3 and a molecular weight of 398.51 g/mol. Its IUPAC name is 3-(cyclopropylmethyl)-1-(2-methylpropyl)-8-(2-pyridin-3-ylacetyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-(cyclopropylmethyl)-1-(2-methylpropyl)-8-(2-pyridin-3-ylacetyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID166617344
Molecular FormulaC22H30N4O3
Molecular Weight398.51 g/mol
Exact Mass398.23
IUPAC Name3-(cyclopropylmethyl)-1-(2-methylpropyl)-8-(2-pyridin-3-ylacetyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCC(C)CN1C(=O)N(CC2CC2)C(=O)C12CCN(C(=O)Cc1cccnc1)CC2
InChIInChI=1S/C22H30N4O3/c1-16(2)14-26-21(29)25(15-17-5-6-17)20(28)22(26)7-10-24(11-8-22)19(27)12-18-4-3-9-23-13-18/h3-4,9,13,16-17H,5-8,10-12,14-15H2,1-2H3
InChIKeyKQTKFWPQIDCKAV-UHFFFAOYSA-N
XLogP2.32
TPSA73.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 52.32
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

3-(cyclopropylmethyl)-1-(2-methylpropyl)-8-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 166615672
3-(cyclobutylmethyl)-1-(2-methylpropyl)-8-(pyridazine-4-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 166616411
1-benzyl-3-propyl-8-(2-pyridin-3-ylacetyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 166616678
3-ethyl-8-[2-(3-fluorophenyl)acetyl]-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 166615143
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-acetyl-3-[(2-methoxy-3-pyridinyl)methyl]-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 166619987
8-(4-aminopyrimidin-2-yl)-3-(cyclopropylmethyl)-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 166615837
1-(3-hydroxy-4,4-dimethylpiperidin-1-yl)-2-pyridin-3-ylethanone
CID 115276739
ethyl 4-[1-(3-methylbutyl)-2,4-dioxo-3-(pyridin-3-ylmethyl)-1,3,8-triazaspiro[4.5]decan-8-yl]piperidine-1-carboxylate
CID 26136372
1-ethyl-8-(2-methylpropyl)-3-(3-pyridin-3-ylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26214490
3-ethyl-8-(3-fluoropyridine-4-carbonyl)-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 166623583
8-(2-ethoxyacetyl)-1-(2-methylpropyl)-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 166624209

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethyl)-1-(2-methylpropyl)-8-(2-pyridin-3-ylacetyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-(cyclopropylmethyl)-1-(2-methylpropyl)-8-(2-pyridin-3-ylacetyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 166617344) is 3-(cyclopropylmethyl)-1-(2-methylpropyl)-8-(2-pyridin-3-ylacetyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-(cyclopropylmethyl)-1-(2-methylpropyl)-8-(2-pyridin-3-ylacetyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-(cyclopropylmethyl)-1-(2-methylpropyl)-8-(2-pyridin-3-ylacetyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is CC(C)CN1C(=O)N(CC2CC2)C(=O)C12CCN(C(=O)Cc1cccnc1)CC2.
What is the InChIKey of 3-(cyclopropylmethyl)-1-(2-methylpropyl)-8-(2-pyridin-3-ylacetyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is KQTKFWPQIDCKAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O3/c1-16(2)14-26-21(29)25(15-17-5-6-17)20(28)22(26)7-10-24(11-8-22)19(27)12-18-4-3-9-23-13-18/h3-4,9,13,16-17H,5-8,10-12,14-15H2,1-2H3.
What are the key properties of 3-(cyclopropylmethyl)-1-(2-methylpropyl)-8-(2-pyridin-3-ylacetyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
3-(cyclopropylmethyl)-1-(2-methylpropyl)-8-(2-pyridin-3-ylacetyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 398.51 g/mol, XLogP of 2.32, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethyl)-1-(2-methylpropyl)-8-(2-pyridin-3-ylacetyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 166617344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).