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

C16H28N6O — CID 56890192

IUPACN-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
SMILESCC(C)n1cnnc1CN(C)C(=O)C1CC2(CCNCC2)CN1
InChIInChI=1S/C16H28N6O/c1-12(2)22-11-19-20-14(22)9-21(3)15(23)13-8-16(10-18-13)4-6-17-7-5-16/h11-13,17-18H,4-10H2,1-3H3
InChIKeyGKKJQADLIUTMCF-UHFFFAOYSA-N
MW320.44 g/mol
LogP0.55
Rot. Bonds4

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

N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide (PubChem CID 56890192) has the molecular formula C16H28N6O and a molecular weight of 320.44 g/mol. Its IUPAC name is N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
PubChem CID56890192
Molecular FormulaC16H28N6O
Molecular Weight320.44 g/mol
Exact Mass320.23
IUPAC NameN-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
SMILESCC(C)n1cnnc1CN(C)C(=O)C1CC2(CCNCC2)CN1
InChIInChI=1S/C16H28N6O/c1-12(2)22-11-19-20-14(22)9-21(3)15(23)13-8-16(10-18-13)4-6-17-7-5-16/h11-13,17-18H,4-10H2,1-3H3
InChIKeyGKKJQADLIUTMCF-UHFFFAOYSA-N
XLogP0.55
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide?
The IUPAC name of N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide (CID 56890192) is N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide.
What is the SMILES notation for N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide?
The canonical SMILES for N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide is CC(C)n1cnnc1CN(C)C(=O)C1CC2(CCNCC2)CN1.
What is the InChIKey of N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide?
The InChIKey is GKKJQADLIUTMCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N6O/c1-12(2)22-11-19-20-14(22)9-21(3)15(23)13-8-16(10-18-13)4-6-17-7-5-16/h11-13,17-18H,4-10H2,1-3H3.
What are the key properties of N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide?
N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide has a molecular weight of 320.44 g/mol, XLogP of 0.55, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 56890192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).