1-(2-methylpropyl)-8-[2-(2-oxo-1-pyridinyl)acetyl]-3-propyl-1,3,8-triazaspiro[4.5]decane-2,4-dione

C21H30N4O4 — CID 166622379

IUPAC1-(2-methylpropyl)-8-[2-(2-oxo-1-pyridinyl)acetyl]-3-propyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCCCN1C(=O)N(CC(C)C)C2(CCN(C(=O)Cn3ccccc3=O)CC2)C1=O
InChIInChI=1S/C21H30N4O4/c1-4-10-24-19(28)21(25(20(24)29)14-16(2)3)8-12-22(13-9-21)18(27)15-23-11-6-5-7-17(23)26/h5-7,11,16H,4,8-10,12-15H2,1-3H3
InChIKeyRIPYBKYCXJSZJS-UHFFFAOYSA-N
MW402.50 g/mol
LogP1.54
Rot. Bonds6

About 1-(2-methylpropyl)-8-[2-(2-oxo-1-pyridinyl)acetyl]-3-propyl-1,3,8-triazaspiro[4.5]decane-2,4-dione

1-(2-methylpropyl)-8-[2-(2-oxo-1-pyridinyl)acetyl]-3-propyl-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 166622379) has the molecular formula C21H30N4O4 and a molecular weight of 402.50 g/mol. Its IUPAC name is 1-(2-methylpropyl)-8-[2-(2-oxo-1-pyridinyl)acetyl]-3-propyl-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name1-(2-methylpropyl)-8-[2-(2-oxo-1-pyridinyl)acetyl]-3-propyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID166622379
Molecular FormulaC21H30N4O4
Molecular Weight402.50 g/mol
Exact Mass402.23
IUPAC Name1-(2-methylpropyl)-8-[2-(2-oxo-1-pyridinyl)acetyl]-3-propyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCCCN1C(=O)N(CC(C)C)C2(CCN(C(=O)Cn3ccccc3=O)CC2)C1=O
InChIInChI=1S/C21H30N4O4/c1-4-10-24-19(28)21(25(20(24)29)14-16(2)3)8-12-22(13-9-21)18(27)15-23-11-6-5-7-17(23)26/h5-7,11,16H,4,8-10,12-15H2,1-3H3
InChIKeyRIPYBKYCXJSZJS-UHFFFAOYSA-N
XLogP1.54
TPSA82.93 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

8-(2,6-dimethylpyridine-4-carbonyl)-1-(2-methylpropyl)-3-propyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 166615547
1-[2-[7-(2-methylpropyl)-2,7-diazaspiro[3.4]octan-2-yl]-2-oxoethyl]pyridin-2-one
CID 131683852
8-acetyl-1-(2-methylpropyl)-3-(2-phenylmethoxyethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 166623714
3-methyl-1-(2-methylpropyl)-8-(4-phenylbutanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 165424705
3-ethyl-8-[2-(3-fluorophenyl)acetyl]-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 166615143
8-(2-ethoxyacetyl)-1-(2-methylpropyl)-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 166624209
8-(4-methylbenzoyl)-1,3-bis(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 166621081
1-benzyl-3-propyl-8-(2-pyridin-3-ylacetyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 166616678
N-methyl-2-[1-(2-methylpropyl)-2,4-dioxo-8-(pyridazine-3-carbonyl)-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide
CID 166619253
8-[2-(2,4-difluorophenyl)acetyl]-3-methyl-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 165428635
3-(cyclopropylmethyl)-1-(2-methylpropyl)-8-(2-pyridin-3-ylacetyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 166617344
ethyl 1-[2-(2-oxo-1-pyridinyl)acetyl]piperidine-4-carboxylate
CID 78791788

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-8-[2-(2-oxo-1-pyridinyl)acetyl]-3-propyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 1-(2-methylpropyl)-8-[2-(2-oxo-1-pyridinyl)acetyl]-3-propyl-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 166622379) is 1-(2-methylpropyl)-8-[2-(2-oxo-1-pyridinyl)acetyl]-3-propyl-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 1-(2-methylpropyl)-8-[2-(2-oxo-1-pyridinyl)acetyl]-3-propyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 1-(2-methylpropyl)-8-[2-(2-oxo-1-pyridinyl)acetyl]-3-propyl-1,3,8-triazaspiro[4.5]decane-2,4-dione is CCCN1C(=O)N(CC(C)C)C2(CCN(C(=O)Cn3ccccc3=O)CC2)C1=O.
What is the InChIKey of 1-(2-methylpropyl)-8-[2-(2-oxo-1-pyridinyl)acetyl]-3-propyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is RIPYBKYCXJSZJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O4/c1-4-10-24-19(28)21(25(20(24)29)14-16(2)3)8-12-22(13-9-21)18(27)15-23-11-6-5-7-17(23)26/h5-7,11,16H,4,8-10,12-15H2,1-3H3.
What are the key properties of 1-(2-methylpropyl)-8-[2-(2-oxo-1-pyridinyl)acetyl]-3-propyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
1-(2-methylpropyl)-8-[2-(2-oxo-1-pyridinyl)acetyl]-3-propyl-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 402.50 g/mol, XLogP of 1.54, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-8-[2-(2-oxo-1-pyridinyl)acetyl]-3-propyl-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 166622379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).