7-propan-2-yl-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one

C17H29N5O — CID 72924315

IUPAC7-propan-2-yl-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESCC(C)N1CCCC2(CCN(Cc3nncn3C(C)C)C2)C1=O
InChIInChI=1S/C17H29N5O/c1-13(2)21-8-5-6-17(16(21)23)7-9-20(11-17)10-15-19-18-12-22(15)14(3)4/h12-14H,5-11H2,1-4H3
InChIKeyQGUGJEVBWWTUSR-UHFFFAOYSA-N
MW319.45 g/mol
LogP2.08
Rot. Bonds4

About 7-propan-2-yl-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one

7-propan-2-yl-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 72924315) has the molecular formula C17H29N5O and a molecular weight of 319.45 g/mol. Its IUPAC name is 7-propan-2-yl-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name7-propan-2-yl-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
PubChem CID72924315
Molecular FormulaC17H29N5O
Molecular Weight319.45 g/mol
Exact Mass319.24
IUPAC Name7-propan-2-yl-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESCC(C)N1CCCC2(CCN(Cc3nncn3C(C)C)C2)C1=O
InChIInChI=1S/C17H29N5O/c1-13(2)21-8-5-6-17(16(21)23)7-9-20(11-17)10-15-19-18-12-22(15)14(3)4/h12-14H,5-11H2,1-4H3
InChIKeyQGUGJEVBWWTUSR-UHFFFAOYSA-N
XLogP2.08
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

1-(cyclohexylmethyl)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide
CID 45224554
1-(2-amino-2-oxoethyl)-N-[(4-isopropyl-4H-1,2,4-triazol-3-yl)methyl]-N-methylpiperidine-3-carboxamide
CID 47000434
1-[3-[2-[(3,5-Dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]propyl]pyrrolidin-2-one
CID 53616637
N-[(4-isopropyl-4H-1,2,4-triazol-3-yl)methyl]-N,1'-dimethyl-1,4'-bipiperidine-3-carboxamide
CID 56878147
N,1'-dimethyl-N-[(4-propyl-4H-1,2,4-triazol-3-yl)methyl]-1,4'-bipiperidine-3-carboxamide
CID 56879690
2-ethyl-9-[(4-methyl-4H-1,2,4-triazol-3-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70705092
2-ethyl-9-[(4-isopropyl-4H-1,2,4-triazol-3-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70773141
7-propyl-2-[4-(1H-1,2,4-triazol-1-yl)butanoyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72852632
7-Cyclopentyl-2-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72858894
1-cyclopentyl-N-methyl-6-oxo-N-[(4-propyl-4H-1,2,4-triazol-3-yl)methyl]-3-piperidinecarboxamide
CID 72860922
7-cyclohexyl-2-[(4-isopropyl-4H-1,2,4-triazol-3-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72861700
7-cyclohexyl-2-[(4-methyl-4H-1,2,4-triazol-3-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72895899

Frequently Asked Questions

What is the IUPAC name of 7-propan-2-yl-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 7-propan-2-yl-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one (CID 72924315) is 7-propan-2-yl-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 7-propan-2-yl-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 7-propan-2-yl-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one is CC(C)N1CCCC2(CCN(Cc3nncn3C(C)C)C2)C1=O.
What is the InChIKey of 7-propan-2-yl-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is QGUGJEVBWWTUSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O/c1-13(2)21-8-5-6-17(16(21)23)7-9-20(11-17)10-15-19-18-12-22(15)14(3)4/h12-14H,5-11H2,1-4H3.
What are the key properties of 7-propan-2-yl-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one?
7-propan-2-yl-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 319.45 g/mol, XLogP of 2.08, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-propan-2-yl-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 72924315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).