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

C20H33N5O — CID 72861700

IUPAC7-cyclohexyl-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESCC(C)n1cnnc1CN1CCC2(CCCN(C3CCCCC3)C2=O)C1
InChIInChI=1S/C20H33N5O/c1-16(2)25-15-21-22-18(25)13-23-12-10-20(14-23)9-6-11-24(19(20)26)17-7-4-3-5-8-17/h15-17H,3-14H2,1-2H3
InChIKeyPIQAEGBCZHGZIF-UHFFFAOYSA-N
MW359.52 g/mol
LogP3.01
Rot. Bonds4

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

7-cyclohexyl-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 72861700) has the molecular formula C20H33N5O and a molecular weight of 359.52 g/mol. Its IUPAC name is 7-cyclohexyl-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name7-cyclohexyl-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
PubChem CID72861700
Molecular FormulaC20H33N5O
Molecular Weight359.52 g/mol
Exact Mass359.27
IUPAC Name7-cyclohexyl-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESCC(C)n1cnnc1CN1CCC2(CCCN(C3CCCCC3)C2=O)C1
InChIInChI=1S/C20H33N5O/c1-16(2)25-15-21-22-18(25)13-23-12-10-20(14-23)9-6-11-24(19(20)26)17-7-4-3-5-8-17/h15-17H,3-14H2,1-2H3
InChIKeyPIQAEGBCZHGZIF-UHFFFAOYSA-N
XLogP3.01
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.52
LogP ≤ 53.01
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
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-methyl-4H-1,2,4-triazol-3-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72895899
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
2-cyclopropyl-9-[(4-methyl-4H-1,2,4-triazol-3-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70756685

Frequently Asked Questions

What is the IUPAC name of 7-cyclohexyl-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-cyclohexyl-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one (CID 72861700) is 7-cyclohexyl-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-cyclohexyl-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-cyclohexyl-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one is CC(C)n1cnnc1CN1CCC2(CCCN(C3CCCCC3)C2=O)C1.
What is the InChIKey of 7-cyclohexyl-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is PIQAEGBCZHGZIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N5O/c1-16(2)25-15-21-22-18(25)13-23-12-10-20(14-23)9-6-11-24(19(20)26)17-7-4-3-5-8-17/h15-17H,3-14H2,1-2H3.
What are the key properties of 7-cyclohexyl-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one?
7-cyclohexyl-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 359.52 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclohexyl-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 72861700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).