[2-methyl-4-(4-propyl-1,2,4-triazol-3-yl)-2,8-diazaspiro[4.5]decan-8-yl]-phenylmethanone

C21H29N5O — CID 146069123

IUPAC[2-methyl-4-(4-propyl-1,2,4-triazol-3-yl)-2,8-diazaspiro[4.5]decan-8-yl]-phenylmethanone
SMILESCCCn1cnnc1C1CN(C)CC12CCN(C(=O)c1ccccc1)CC2
InChIInChI=1S/C21H29N5O/c1-3-11-26-16-22-23-19(26)18-14-24(2)15-21(18)9-12-25(13-10-21)20(27)17-7-5-4-6-8-17/h4-8,16,18H,3,9-15H2,1-2H3
InChIKeyJVILZHXEPJYZEF-UHFFFAOYSA-N
MW367.50 g/mol
LogP2.64
Rot. Bonds4

About [2-methyl-4-(4-propyl-1,2,4-triazol-3-yl)-2,8-diazaspiro[4.5]decan-8-yl]-phenylmethanone

[2-methyl-4-(4-propyl-1,2,4-triazol-3-yl)-2,8-diazaspiro[4.5]decan-8-yl]-phenylmethanone (PubChem CID 146069123) has the molecular formula C21H29N5O and a molecular weight of 367.50 g/mol. Its IUPAC name is [2-methyl-4-(4-propyl-1,2,4-triazol-3-yl)-2,8-diazaspiro[4.5]decan-8-yl]-phenylmethanone.

Molecular Properties

Compound Name[2-methyl-4-(4-propyl-1,2,4-triazol-3-yl)-2,8-diazaspiro[4.5]decan-8-yl]-phenylmethanone
PubChem CID146069123
Molecular FormulaC21H29N5O
Molecular Weight367.50 g/mol
Exact Mass367.24
IUPAC Name[2-methyl-4-(4-propyl-1,2,4-triazol-3-yl)-2,8-diazaspiro[4.5]decan-8-yl]-phenylmethanone
SMILESCCCn1cnnc1C1CN(C)CC12CCN(C(=O)c1ccccc1)CC2
InChIInChI=1S/C21H29N5O/c1-3-11-26-16-22-23-19(26)18-14-24(2)15-21(18)9-12-25(13-10-21)20(27)17-7-5-4-6-8-17/h4-8,16,18H,3,9-15H2,1-2H3
InChIKeyJVILZHXEPJYZEF-UHFFFAOYSA-N
XLogP2.64
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.50
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-methyl-4-(4-propyl-1,2,4-triazol-3-yl)-2,8-diazaspiro[4.5]decan-8-yl]-(3-methylthiophen-2-yl)methanone
CID 146069095
(5-fluoro-2-pyridinyl)-[2-methyl-4-(4-propyl-1,2,4-triazol-3-yl)-2,8-diazaspiro[4.5]decan-8-yl]methanone
CID 146069114
2-methyl-N-propan-2-yl-4-(4-propyl-1,2,4-triazol-3-yl)-2,8-diazaspiro[4.5]decane-8-carboxamide
CID 146069117
2-methyl-N-(3-methylbutyl)-4-(4-propyl-1,2,4-triazol-3-yl)-2,8-diazaspiro[4.5]decane-8-carboxamide
CID 146069126
8-(2,4-difluorophenyl)sulfonyl-2-methyl-4-(4-propyl-1,2,4-triazol-3-yl)-2,8-diazaspiro[4.5]decane
CID 146069106
1-[4-[8-(4-propyl-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octane-6-carbonyl]piperidin-1-yl]ethanone
CID 155882424
(3-methylimidazol-4-yl)-[8-(4-propyl-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octan-6-yl]methanone
CID 155882242
[(3R)-3-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]-quinolin-6-ylmethanone
CID 95111399
1-[4-(4-ethyl-1,2,4-triazol-3-yl)-2-azaspiro[4.4]nonan-2-yl]-2-(2-methylphenyl)ethanone
CID 146068143
[8-(4-ethyl-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octan-6-yl]-(1-methylpyrrol-2-yl)methanone
CID 155880426
1-[4-(4-methyl-1,2,4-triazol-3-yl)-8-propan-2-yl-2,8-diazaspiro[4.5]decan-2-yl]-2-phenoxyethanone
CID 146071677
1-[8-(4-ethyl-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octan-6-yl]-2-methoxyethanone
CID 155882181

Frequently Asked Questions

What is the IUPAC name of [2-methyl-4-(4-propyl-1,2,4-triazol-3-yl)-2,8-diazaspiro[4.5]decan-8-yl]-phenylmethanone?
The IUPAC name of [2-methyl-4-(4-propyl-1,2,4-triazol-3-yl)-2,8-diazaspiro[4.5]decan-8-yl]-phenylmethanone (CID 146069123) is [2-methyl-4-(4-propyl-1,2,4-triazol-3-yl)-2,8-diazaspiro[4.5]decan-8-yl]-phenylmethanone.
What is the SMILES notation for [2-methyl-4-(4-propyl-1,2,4-triazol-3-yl)-2,8-diazaspiro[4.5]decan-8-yl]-phenylmethanone?
The canonical SMILES for [2-methyl-4-(4-propyl-1,2,4-triazol-3-yl)-2,8-diazaspiro[4.5]decan-8-yl]-phenylmethanone is CCCn1cnnc1C1CN(C)CC12CCN(C(=O)c1ccccc1)CC2.
What is the InChIKey of [2-methyl-4-(4-propyl-1,2,4-triazol-3-yl)-2,8-diazaspiro[4.5]decan-8-yl]-phenylmethanone?
The InChIKey is JVILZHXEPJYZEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O/c1-3-11-26-16-22-23-19(26)18-14-24(2)15-21(18)9-12-25(13-10-21)20(27)17-7-5-4-6-8-17/h4-8,16,18H,3,9-15H2,1-2H3.
What are the key properties of [2-methyl-4-(4-propyl-1,2,4-triazol-3-yl)-2,8-diazaspiro[4.5]decan-8-yl]-phenylmethanone?
[2-methyl-4-(4-propyl-1,2,4-triazol-3-yl)-2,8-diazaspiro[4.5]decan-8-yl]-phenylmethanone has a molecular weight of 367.50 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-4-(4-propyl-1,2,4-triazol-3-yl)-2,8-diazaspiro[4.5]decan-8-yl]-phenylmethanone is sourced from PubChem (CID 146069123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).