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

C18H32N6O — CID 146069117

IUPAC2-methyl-N-propan-2-yl-4-(4-propyl-1,2,4-triazol-3-yl)-2,8-diazaspiro[4.5]decane-8-carboxamide
SMILESCCCn1cnnc1C1CN(C)CC12CCN(C(=O)NC(C)C)CC2
InChIInChI=1S/C18H32N6O/c1-5-8-24-13-19-21-16(24)15-11-22(4)12-18(15)6-9-23(10-7-18)17(25)20-14(2)3/h13-15H,5-12H2,1-4H3,(H,20,25)
InChIKeyXGSZCCXSFAFLKU-UHFFFAOYSA-N
MW348.50 g/mol
LogP1.92
Rot. Bonds4

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

2-methyl-N-propan-2-yl-4-(4-propyl-1,2,4-triazol-3-yl)-2,8-diazaspiro[4.5]decane-8-carboxamide (PubChem CID 146069117) has the molecular formula C18H32N6O and a molecular weight of 348.50 g/mol. Its IUPAC name is 2-methyl-N-propan-2-yl-4-(4-propyl-1,2,4-triazol-3-yl)-2,8-diazaspiro[4.5]decane-8-carboxamide.

Molecular Properties

Compound Name2-methyl-N-propan-2-yl-4-(4-propyl-1,2,4-triazol-3-yl)-2,8-diazaspiro[4.5]decane-8-carboxamide
PubChem CID146069117
Molecular FormulaC18H32N6O
Molecular Weight348.50 g/mol
Exact Mass348.26
IUPAC Name2-methyl-N-propan-2-yl-4-(4-propyl-1,2,4-triazol-3-yl)-2,8-diazaspiro[4.5]decane-8-carboxamide
SMILESCCCn1cnnc1C1CN(C)CC12CCN(C(=O)NC(C)C)CC2
InChIInChI=1S/C18H32N6O/c1-5-8-24-13-19-21-16(24)15-11-22(4)12-18(15)6-9-23(10-7-18)17(25)20-14(2)3/h13-15H,5-12H2,1-4H3,(H,20,25)
InChIKeyXGSZCCXSFAFLKU-UHFFFAOYSA-N
XLogP1.92
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.50
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-propan-2-yl-4-(4-propyl-1,2,4-triazol-3-yl)-2,8-diazaspiro[4.5]decane-8-carboxamide?
The IUPAC name of 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) is 2-methyl-N-propan-2-yl-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-propan-2-yl-4-(4-propyl-1,2,4-triazol-3-yl)-2,8-diazaspiro[4.5]decane-8-carboxamide?
The canonical SMILES for 2-methyl-N-propan-2-yl-4-(4-propyl-1,2,4-triazol-3-yl)-2,8-diazaspiro[4.5]decane-8-carboxamide is CCCn1cnnc1C1CN(C)CC12CCN(C(=O)NC(C)C)CC2.
What is the InChIKey of 2-methyl-N-propan-2-yl-4-(4-propyl-1,2,4-triazol-3-yl)-2,8-diazaspiro[4.5]decane-8-carboxamide?
The InChIKey is XGSZCCXSFAFLKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N6O/c1-5-8-24-13-19-21-16(24)15-11-22(4)12-18(15)6-9-23(10-7-18)17(25)20-14(2)3/h13-15H,5-12H2,1-4H3,(H,20,25).
What are the key properties of 2-methyl-N-propan-2-yl-4-(4-propyl-1,2,4-triazol-3-yl)-2,8-diazaspiro[4.5]decane-8-carboxamide?
2-methyl-N-propan-2-yl-4-(4-propyl-1,2,4-triazol-3-yl)-2,8-diazaspiro[4.5]decane-8-carboxamide has a molecular weight of 348.50 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-propan-2-yl-4-(4-propyl-1,2,4-triazol-3-yl)-2,8-diazaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 146069117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).