2-methyl-N-(3-methylbutyl)-4-(4-propyl-1,2,4-triazol-3-yl)-2,8-diazaspiro[4.5]decane-8-carboxamide

C20H36N6O — CID 146069126

IUPAC2-methyl-N-(3-methylbutyl)-4-(4-propyl-1,2,4-triazol-3-yl)-2,8-diazaspiro[4.5]decane-8-carboxamide
SMILESCCCn1cnnc1C1CN(C)CC12CCN(C(=O)NCCC(C)C)CC2
InChIInChI=1S/C20H36N6O/c1-5-10-26-15-22-23-18(26)17-13-24(4)14-20(17)7-11-25(12-8-20)19(27)21-9-6-16(2)3/h15-17H,5-14H2,1-4H3,(H,21,27)
InChIKeyYUHLWDRRMCAUKX-UHFFFAOYSA-N
MW376.55 g/mol
LogP2.56
Rot. Bonds6

About 2-methyl-N-(3-methylbutyl)-4-(4-propyl-1,2,4-triazol-3-yl)-2,8-diazaspiro[4.5]decane-8-carboxamide

2-methyl-N-(3-methylbutyl)-4-(4-propyl-1,2,4-triazol-3-yl)-2,8-diazaspiro[4.5]decane-8-carboxamide (PubChem CID 146069126) has the molecular formula C20H36N6O and a molecular weight of 376.55 g/mol. Its IUPAC name is 2-methyl-N-(3-methylbutyl)-4-(4-propyl-1,2,4-triazol-3-yl)-2,8-diazaspiro[4.5]decane-8-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(3-methylbutyl)-4-(4-propyl-1,2,4-triazol-3-yl)-2,8-diazaspiro[4.5]decane-8-carboxamide
PubChem CID146069126
Molecular FormulaC20H36N6O
Molecular Weight376.55 g/mol
Exact Mass376.30
IUPAC Name2-methyl-N-(3-methylbutyl)-4-(4-propyl-1,2,4-triazol-3-yl)-2,8-diazaspiro[4.5]decane-8-carboxamide
SMILESCCCn1cnnc1C1CN(C)CC12CCN(C(=O)NCCC(C)C)CC2
InChIInChI=1S/C20H36N6O/c1-5-10-26-15-22-23-18(26)17-13-24(4)14-20(17)7-11-25(12-8-20)19(27)21-9-6-16(2)3/h15-17H,5-14H2,1-4H3,(H,21,27)
InChIKeyYUHLWDRRMCAUKX-UHFFFAOYSA-N
XLogP2.56
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.55
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methyl-N-(3-methylbutyl)-4-(4-propyl-1,2,4-triazol-3-yl)-2,8-diazaspiro[4.5]decane-8-carboxamide with MolForge

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Related Compounds

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-4-(4-propyl-1,2,4-triazol-3-yl)-2,8-diazaspiro[4.5]decan-8-yl]-phenylmethanone
CID 146069123
[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
1-[4-[8-(4-propyl-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octane-6-carbonyl]piperidin-1-yl]ethanone
CID 155882424
8-(2,4-difluorophenyl)sulfonyl-2-methyl-4-(4-propyl-1,2,4-triazol-3-yl)-2,8-diazaspiro[4.5]decane
CID 146069106
(3-methylimidazol-4-yl)-[8-(4-propyl-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octan-6-yl]methanone
CID 155882242
4-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-N-ethyl-2-azaspiro[4.5]decane-2-carboxamide
CID 146067774
N-(3-methylbutyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 110299714
(1-methylcyclohexyl)-[8-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]-6-azaspiro[3.4]octan-6-yl]methanone
CID 155880641
4-(1-hydroxyethyl)-N-(3-methylbutyl)piperidine-1-carboxamide
CID 111437840
4-methyl-N-(3-methylbutyl)piperidine-1-carboxamide
CID 51712124

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3-methylbutyl)-4-(4-propyl-1,2,4-triazol-3-yl)-2,8-diazaspiro[4.5]decane-8-carboxamide?
The IUPAC name of 2-methyl-N-(3-methylbutyl)-4-(4-propyl-1,2,4-triazol-3-yl)-2,8-diazaspiro[4.5]decane-8-carboxamide (CID 146069126) is 2-methyl-N-(3-methylbutyl)-4-(4-propyl-1,2,4-triazol-3-yl)-2,8-diazaspiro[4.5]decane-8-carboxamide.
What is the SMILES notation for 2-methyl-N-(3-methylbutyl)-4-(4-propyl-1,2,4-triazol-3-yl)-2,8-diazaspiro[4.5]decane-8-carboxamide?
The canonical SMILES for 2-methyl-N-(3-methylbutyl)-4-(4-propyl-1,2,4-triazol-3-yl)-2,8-diazaspiro[4.5]decane-8-carboxamide is CCCn1cnnc1C1CN(C)CC12CCN(C(=O)NCCC(C)C)CC2.
What is the InChIKey of 2-methyl-N-(3-methylbutyl)-4-(4-propyl-1,2,4-triazol-3-yl)-2,8-diazaspiro[4.5]decane-8-carboxamide?
The InChIKey is YUHLWDRRMCAUKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N6O/c1-5-10-26-15-22-23-18(26)17-13-24(4)14-20(17)7-11-25(12-8-20)19(27)21-9-6-16(2)3/h15-17H,5-14H2,1-4H3,(H,21,27).
What are the key properties of 2-methyl-N-(3-methylbutyl)-4-(4-propyl-1,2,4-triazol-3-yl)-2,8-diazaspiro[4.5]decane-8-carboxamide?
2-methyl-N-(3-methylbutyl)-4-(4-propyl-1,2,4-triazol-3-yl)-2,8-diazaspiro[4.5]decane-8-carboxamide has a molecular weight of 376.55 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3-methylbutyl)-4-(4-propyl-1,2,4-triazol-3-yl)-2,8-diazaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 146069126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).