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

C18H29N5O — CID 72895899

IUPAC7-cyclohexyl-2-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESCn1cnnc1CN1CCC2(CCCN(C3CCCCC3)C2=O)C1
InChIInChI=1S/C18H29N5O/c1-21-14-19-20-16(21)12-22-11-9-18(13-22)8-5-10-23(17(18)24)15-6-3-2-4-7-15/h14-15H,2-13H2,1H3
InChIKeyRBGRGCKIYQFZKS-UHFFFAOYSA-N
MW331.46 g/mol
LogP1.96
Rot. Bonds3

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

7-cyclohexyl-2-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 72895899) has the molecular formula C18H29N5O and a molecular weight of 331.46 g/mol. Its IUPAC name is 7-cyclohexyl-2-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name7-cyclohexyl-2-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
PubChem CID72895899
Molecular FormulaC18H29N5O
Molecular Weight331.46 g/mol
Exact Mass331.24
IUPAC Name7-cyclohexyl-2-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESCn1cnnc1CN1CCC2(CCCN(C3CCCCC3)C2=O)C1
InChIInChI=1S/C18H29N5O/c1-21-14-19-20-16(21)12-22-11-9-18(13-22)8-5-10-23(17(18)24)15-6-3-2-4-7-15/h14-15H,2-13H2,1H3
InChIKeyRBGRGCKIYQFZKS-UHFFFAOYSA-N
XLogP1.96
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-cyclohexyl-2-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

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
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-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-isopropyl-2-[4-(1H-1,2,4-triazol-1-yl)butanoyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72918675
7-isopropyl-2-[(4-isopropyl-4H-1,2,4-triazol-3-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72924315
1'-[(1-ethyl-1H-1,2,4-triazol-5-yl)methyl]-3-(pyrrolidin-1-ylcarbonyl)-1,4'-bipiperidine
CID 56880275
N-methyl-N-(1-methylpiperidin-4-yl)-3-{1-[2-(3-methyl-4H-1,2,4-triazol-4-yl)ethyl]piperidin-3-yl}propanamide
CID 72877924

Frequently Asked Questions

What is the IUPAC name of 7-cyclohexyl-2-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 7-cyclohexyl-2-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one (CID 72895899) is 7-cyclohexyl-2-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 7-cyclohexyl-2-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 7-cyclohexyl-2-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one is Cn1cnnc1CN1CCC2(CCCN(C3CCCCC3)C2=O)C1.
What is the InChIKey of 7-cyclohexyl-2-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is RBGRGCKIYQFZKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O/c1-21-14-19-20-16(21)12-22-11-9-18(13-22)8-5-10-23(17(18)24)15-6-3-2-4-7-15/h14-15H,2-13H2,1H3.
What are the key properties of 7-cyclohexyl-2-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one?
7-cyclohexyl-2-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 331.46 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclohexyl-2-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 72895899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).