4-[(3-chlorophenyl)methyl]-10-(2-methoxyethyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one

C20H30ClN3O2 — CID 70756978

IUPAC4-[(3-chlorophenyl)methyl]-10-(2-methoxyethyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESCOCCN1CCC2(CCC1=O)CN(Cc1cccc(Cl)c1)CCN2C
InChIInChI=1S/C20H30ClN3O2/c1-22-10-11-23(15-17-4-3-5-18(21)14-17)16-20(22)7-6-19(25)24(9-8-20)12-13-26-2/h3-5,14H,6-13,15-16H2,1-2H3
InChIKeyNDPYUWFVVGLVSX-UHFFFAOYSA-N
MW379.93 g/mol
LogP2.49
Rot. Bonds5

About 4-[(3-chlorophenyl)methyl]-10-(2-methoxyethyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one

4-[(3-chlorophenyl)methyl]-10-(2-methoxyethyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one (PubChem CID 70756978) has the molecular formula C20H30ClN3O2 and a molecular weight of 379.93 g/mol. Its IUPAC name is 4-[(3-chlorophenyl)methyl]-10-(2-methoxyethyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one.

Molecular Properties

Compound Name4-[(3-chlorophenyl)methyl]-10-(2-methoxyethyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
PubChem CID70756978
Molecular FormulaC20H30ClN3O2
Molecular Weight379.93 g/mol
Exact Mass379.20
IUPAC Name4-[(3-chlorophenyl)methyl]-10-(2-methoxyethyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESCOCCN1CCC2(CCC1=O)CN(Cc1cccc(Cl)c1)CCN2C
InChIInChI=1S/C20H30ClN3O2/c1-22-10-11-23(15-17-4-3-5-18(21)14-17)16-20(22)7-6-19(25)24(9-8-20)12-13-26-2/h3-5,14H,6-13,15-16H2,1-2H3
InChIKeyNDPYUWFVVGLVSX-UHFFFAOYSA-N
XLogP2.49
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.93
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-chlorophenyl)methyl]-10-(2-methoxyethyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one?
The IUPAC name of 4-[(3-chlorophenyl)methyl]-10-(2-methoxyethyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one (CID 70756978) is 4-[(3-chlorophenyl)methyl]-10-(2-methoxyethyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one.
What is the SMILES notation for 4-[(3-chlorophenyl)methyl]-10-(2-methoxyethyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one?
The canonical SMILES for 4-[(3-chlorophenyl)methyl]-10-(2-methoxyethyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one is COCCN1CCC2(CCC1=O)CN(Cc1cccc(Cl)c1)CCN2C.
What is the InChIKey of 4-[(3-chlorophenyl)methyl]-10-(2-methoxyethyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one?
The InChIKey is NDPYUWFVVGLVSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30ClN3O2/c1-22-10-11-23(15-17-4-3-5-18(21)14-17)16-20(22)7-6-19(25)24(9-8-20)12-13-26-2/h3-5,14H,6-13,15-16H2,1-2H3.
What are the key properties of 4-[(3-chlorophenyl)methyl]-10-(2-methoxyethyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one?
4-[(3-chlorophenyl)methyl]-10-(2-methoxyethyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one has a molecular weight of 379.93 g/mol, XLogP of 2.49, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chlorophenyl)methyl]-10-(2-methoxyethyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one is sourced from PubChem (CID 70756978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).