8-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide

C17H30N6O — CID 56902368

IUPAC8-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide
SMILESCCCN1CC2(CCN(C)CC2)CC1C(=O)NCc1n[nH]c(C)n1
InChIInChI=1S/C17H30N6O/c1-4-7-23-12-17(5-8-22(3)9-6-17)10-14(23)16(24)18-11-15-19-13(2)20-21-15/h14H,4-12H2,1-3H3,(H,18,24)(H,19,20,21)
InChIKeyNTWNLOCYYWQMGX-UHFFFAOYSA-N
MW334.47 g/mol
LogP0.93
Rot. Bonds5

About 8-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide

8-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide (PubChem CID 56902368) has the molecular formula C17H30N6O and a molecular weight of 334.47 g/mol. Its IUPAC name is 8-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide.

Molecular Properties

Compound Name8-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide
PubChem CID56902368
Molecular FormulaC17H30N6O
Molecular Weight334.47 g/mol
Exact Mass334.25
IUPAC Name8-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide
SMILESCCCN1CC2(CCN(C)CC2)CC1C(=O)NCc1n[nH]c(C)n1
InChIInChI=1S/C17H30N6O/c1-4-7-23-12-17(5-8-22(3)9-6-17)10-14(23)16(24)18-11-15-19-13(2)20-21-15/h14H,4-12H2,1-3H3,(H,18,24)(H,19,20,21)
InChIKeyNTWNLOCYYWQMGX-UHFFFAOYSA-N
XLogP0.93
TPSA77.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.47
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide?
The IUPAC name of 8-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide (CID 56902368) is 8-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide.
What is the SMILES notation for 8-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide?
The canonical SMILES for 8-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide is CCCN1CC2(CCN(C)CC2)CC1C(=O)NCc1n[nH]c(C)n1.
What is the InChIKey of 8-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide?
The InChIKey is NTWNLOCYYWQMGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N6O/c1-4-7-23-12-17(5-8-22(3)9-6-17)10-14(23)16(24)18-11-15-19-13(2)20-21-15/h14H,4-12H2,1-3H3,(H,18,24)(H,19,20,21).
What are the key properties of 8-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide?
8-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide has a molecular weight of 334.47 g/mol, XLogP of 0.93, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 56902368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).