(6S)-4-[2-(4-chlorophenoxy)ethyl]-10-ethyl-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one

C20H30ClN3O2 — CID 97123989

IUPAC(6S)-4-[2-(4-chlorophenoxy)ethyl]-10-ethyl-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESCCN1CC[C@@]2(CCC1=O)CN(CCOc1ccc(Cl)cc1)CCN2C
InChIInChI=1S/C20H30ClN3O2/c1-3-24-11-10-20(9-8-19(24)25)16-23(13-12-22(20)2)14-15-26-18-6-4-17(21)5-7-18/h4-7H,3,8-16H2,1-2H3/t20-/m0/s1
InChIKeyGGSLXUZCDUKJON-FQEVSTJZSA-N
MW379.93 g/mol
LogP2.74
Rot. Bonds5

About (6S)-4-[2-(4-chlorophenoxy)ethyl]-10-ethyl-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one

(6S)-4-[2-(4-chlorophenoxy)ethyl]-10-ethyl-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one (PubChem CID 97123989) has the molecular formula C20H30ClN3O2 and a molecular weight of 379.93 g/mol. Its IUPAC name is (6S)-4-[2-(4-chlorophenoxy)ethyl]-10-ethyl-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one.

Molecular Properties

Compound Name(6S)-4-[2-(4-chlorophenoxy)ethyl]-10-ethyl-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
PubChem CID97123989
Molecular FormulaC20H30ClN3O2
Molecular Weight379.93 g/mol
Exact Mass379.20
IUPAC Name(6S)-4-[2-(4-chlorophenoxy)ethyl]-10-ethyl-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESCCN1CC[C@@]2(CCC1=O)CN(CCOc1ccc(Cl)cc1)CCN2C
InChIInChI=1S/C20H30ClN3O2/c1-3-24-11-10-20(9-8-19(24)25)16-23(13-12-22(20)2)14-15-26-18-6-4-17(21)5-7-18/h4-7H,3,8-16H2,1-2H3/t20-/m0/s1
InChIKeyGGSLXUZCDUKJON-FQEVSTJZSA-N
XLogP2.74
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 ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (6S)-4-[2-(4-chlorophenoxy)ethyl]-10-ethyl-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one with MolForge

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Related Compounds

(6R)-10-ethyl-4-[[4-(2-hydroxyethoxy)phenyl]methyl]-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97194524
4-[2-(3,4-dimethylphenoxy)ethyl]-1-methyl-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 70718122
10-ethyl-4-[3-(4-fluorophenyl)prop-2-enyl]-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 91940226
1,10-dimethyl-4-(2-propoxyethyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 70710897
(6R)-2-ethyl-8-(2-phenoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 95896690
(6S)-10-ethyl-1-methyl-4-[(3-methyl-1-benzofuran-2-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97155674
4-benzyl-1-[2-(4-chlorophenoxy)ethyl]-1,4-diazepan-5-one
CID 24733010
4-(4-fluorobutyl)-10-(2-methoxyethyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 70777697
(6S)-4-[2-(2-methoxy-4-methylphenoxy)ethyl]-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97125922
(6S)-10-ethyl-1-methyl-4-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97136768
(6S)-N-(3,4-difluorophenyl)-10-ethyl-1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecane-4-carboxamide
CID 97191054
(6R)-10-ethyl-4-(5-methoxyfuran-2-carbonyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97152716

Frequently Asked Questions

What is the IUPAC name of (6S)-4-[2-(4-chlorophenoxy)ethyl]-10-ethyl-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one?
The IUPAC name of (6S)-4-[2-(4-chlorophenoxy)ethyl]-10-ethyl-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one (CID 97123989) is (6S)-4-[2-(4-chlorophenoxy)ethyl]-10-ethyl-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one.
What is the SMILES notation for (6S)-4-[2-(4-chlorophenoxy)ethyl]-10-ethyl-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one?
The canonical SMILES for (6S)-4-[2-(4-chlorophenoxy)ethyl]-10-ethyl-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one is CCN1CC[C@@]2(CCC1=O)CN(CCOc1ccc(Cl)cc1)CCN2C.
What is the InChIKey of (6S)-4-[2-(4-chlorophenoxy)ethyl]-10-ethyl-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one?
The InChIKey is GGSLXUZCDUKJON-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H30ClN3O2/c1-3-24-11-10-20(9-8-19(24)25)16-23(13-12-22(20)2)14-15-26-18-6-4-17(21)5-7-18/h4-7H,3,8-16H2,1-2H3/t20-/m0/s1.
What are the key properties of (6S)-4-[2-(4-chlorophenoxy)ethyl]-10-ethyl-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one?
(6S)-4-[2-(4-chlorophenoxy)ethyl]-10-ethyl-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one has a molecular weight of 379.93 g/mol, XLogP of 2.74, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-4-[2-(4-chlorophenoxy)ethyl]-10-ethyl-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one is sourced from PubChem (CID 97123989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).