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

C18H32N6O — CID 56891980

IUPAC8-methyl-2-propyl-N-[3-(1,2,4-triazol-4-yl)propyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
SMILESCCCN1CC2(CCN(C)CC2)CC1C(=O)NCCCn1cnnc1
InChIInChI=1S/C18H32N6O/c1-3-8-24-13-18(5-10-22(2)11-6-18)12-16(24)17(25)19-7-4-9-23-14-20-21-15-23/h14-16H,3-13H2,1-2H3,(H,19,25)
InChIKeyVGCLMXKKVTYJNY-UHFFFAOYSA-N
MW348.50 g/mol
LogP0.98
Rot. Bonds7

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

8-methyl-2-propyl-N-[3-(1,2,4-triazol-4-yl)propyl]-2,8-diazaspiro[4.5]decane-3-carboxamide (PubChem CID 56891980) has the molecular formula C18H32N6O and a molecular weight of 348.50 g/mol. Its IUPAC name is 8-methyl-2-propyl-N-[3-(1,2,4-triazol-4-yl)propyl]-2,8-diazaspiro[4.5]decane-3-carboxamide.

Molecular Properties

Compound Name8-methyl-2-propyl-N-[3-(1,2,4-triazol-4-yl)propyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
PubChem CID56891980
Molecular FormulaC18H32N6O
Molecular Weight348.50 g/mol
Exact Mass348.26
IUPAC Name8-methyl-2-propyl-N-[3-(1,2,4-triazol-4-yl)propyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
SMILESCCCN1CC2(CCN(C)CC2)CC1C(=O)NCCCn1cnnc1
InChIInChI=1S/C18H32N6O/c1-3-8-24-13-18(5-10-22(2)11-6-18)12-16(24)17(25)19-7-4-9-23-14-20-21-15-23/h14-16H,3-13H2,1-2H3,(H,19,25)
InChIKeyVGCLMXKKVTYJNY-UHFFFAOYSA-N
XLogP0.98
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.50
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-8-methyl-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 56913790
2-(1H-tetrazol-1-ylacetyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72848452
N-[(4-isopropyl-4H-1,2,4-triazol-3-yl)methyl]-N-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 56890192
N-[2-(4-ethyl-4H-1,2,4-triazol-3-yl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 56891913
(2S)-N-[(1S)-1-cyclohexyl-2-[(2S)-2-[[ethyl-[2-(1,2,4-triazol-4-yl)ethyl]amino]methyl]pyrrolidin-1-yl]-2-oxoethyl]-2-(methylamino)propanamide
CID 59788008
N-[(1S)-1-cyclohexyl-2-[2-[[ethyl-[2-(1,2,4-triazol-4-yl)ethyl]amino]methyl]pyrrolidin-1-yl]-2-oxoethyl]-2-(methylamino)propanamide
CID 11517991
N-[(1-ethyl-2-pyrrolidinyl)methyl]-3-{1-[3-(1H-1,2,4-triazol-1-yl)propanoyl]-4-piperidinyl}propanamide
CID 45208623
N-[(1-ethyl-2-pyrrolidinyl)methyl]-3-{1-[4-(1H-1,2,4-triazol-1-yl)butanoyl]-4-piperidinyl}propanamide
CID 45240687
1-(cyclohexylcarbonyl)-N-[3-(1H-1,2,4-triazol-1-yl)propyl]pyrrolidine-2-carboxamide
CID 46994179
(2S)-1-(cyclohexanecarbonyl)-N-[3-(1,2,4-triazol-1-yl)propyl]pyrrolidine-2-carboxamide
CID 52278899
(2R)-1-(cyclohexanecarbonyl)-N-[3-(1,2,4-triazol-1-yl)propyl]pyrrolidine-2-carboxamide
CID 52278900
8-methyl-2-propyl-N-[3-(1H-1,2,4-triazol-1-yl)propyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 56887326

Frequently Asked Questions

What is the IUPAC name of 8-methyl-2-propyl-N-[3-(1,2,4-triazol-4-yl)propyl]-2,8-diazaspiro[4.5]decane-3-carboxamide?
The IUPAC name of 8-methyl-2-propyl-N-[3-(1,2,4-triazol-4-yl)propyl]-2,8-diazaspiro[4.5]decane-3-carboxamide (CID 56891980) is 8-methyl-2-propyl-N-[3-(1,2,4-triazol-4-yl)propyl]-2,8-diazaspiro[4.5]decane-3-carboxamide.
What is the SMILES notation for 8-methyl-2-propyl-N-[3-(1,2,4-triazol-4-yl)propyl]-2,8-diazaspiro[4.5]decane-3-carboxamide?
The canonical SMILES for 8-methyl-2-propyl-N-[3-(1,2,4-triazol-4-yl)propyl]-2,8-diazaspiro[4.5]decane-3-carboxamide is CCCN1CC2(CCN(C)CC2)CC1C(=O)NCCCn1cnnc1.
What is the InChIKey of 8-methyl-2-propyl-N-[3-(1,2,4-triazol-4-yl)propyl]-2,8-diazaspiro[4.5]decane-3-carboxamide?
The InChIKey is VGCLMXKKVTYJNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N6O/c1-3-8-24-13-18(5-10-22(2)11-6-18)12-16(24)17(25)19-7-4-9-23-14-20-21-15-23/h14-16H,3-13H2,1-2H3,(H,19,25).
What are the key properties of 8-methyl-2-propyl-N-[3-(1,2,4-triazol-4-yl)propyl]-2,8-diazaspiro[4.5]decane-3-carboxamide?
8-methyl-2-propyl-N-[3-(1,2,4-triazol-4-yl)propyl]-2,8-diazaspiro[4.5]decane-3-carboxamide has a molecular weight of 348.50 g/mol, XLogP of 0.98, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2-propyl-N-[3-(1,2,4-triazol-4-yl)propyl]-2,8-diazaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 56891980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).