(6R)-10-ethyl-4-[[4-(2-hydroxyethoxy)phenyl]methyl]-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one

C21H33N3O3 — CID 97194524

IUPAC(6R)-10-ethyl-4-[[4-(2-hydroxyethoxy)phenyl]methyl]-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESCCN1CC[C@]2(CCC1=O)CN(Cc1ccc(OCCO)cc1)CCN2C
InChIInChI=1S/C21H33N3O3/c1-3-24-11-10-21(9-8-20(24)26)17-23(13-12-22(21)2)16-18-4-6-19(7-5-18)27-15-14-25/h4-7,25H,3,8-17H2,1-2H3/t21-/m1/s1
InChIKeyXXBBSDMBZWPUQV-OAQYLSRUSA-N
MW375.51 g/mol
LogP1.58
Rot. Bonds6

About (6R)-10-ethyl-4-[[4-(2-hydroxyethoxy)phenyl]methyl]-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one

(6R)-10-ethyl-4-[[4-(2-hydroxyethoxy)phenyl]methyl]-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one (PubChem CID 97194524) has the molecular formula C21H33N3O3 and a molecular weight of 375.51 g/mol. Its IUPAC name is (6R)-10-ethyl-4-[[4-(2-hydroxyethoxy)phenyl]methyl]-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one.

Molecular Properties

Compound Name(6R)-10-ethyl-4-[[4-(2-hydroxyethoxy)phenyl]methyl]-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
PubChem CID97194524
Molecular FormulaC21H33N3O3
Molecular Weight375.51 g/mol
Exact Mass375.25
IUPAC Name(6R)-10-ethyl-4-[[4-(2-hydroxyethoxy)phenyl]methyl]-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESCCN1CC[C@]2(CCC1=O)CN(Cc1ccc(OCCO)cc1)CCN2C
InChIInChI=1S/C21H33N3O3/c1-3-24-11-10-21(9-8-20(24)26)17-23(13-12-22(21)2)16-18-4-6-19(7-5-18)27-15-14-25/h4-7,25H,3,8-17H2,1-2H3/t21-/m1/s1
InChIKeyXXBBSDMBZWPUQV-OAQYLSRUSA-N
XLogP1.58
TPSA56.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.51
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6R)-10-ethyl-4-[[4-(2-hydroxyethoxy)phenyl]methyl]-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one?
The IUPAC name of (6R)-10-ethyl-4-[[4-(2-hydroxyethoxy)phenyl]methyl]-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one (CID 97194524) is (6R)-10-ethyl-4-[[4-(2-hydroxyethoxy)phenyl]methyl]-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one.
What is the SMILES notation for (6R)-10-ethyl-4-[[4-(2-hydroxyethoxy)phenyl]methyl]-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one?
The canonical SMILES for (6R)-10-ethyl-4-[[4-(2-hydroxyethoxy)phenyl]methyl]-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one is CCN1CC[C@]2(CCC1=O)CN(Cc1ccc(OCCO)cc1)CCN2C.
What is the InChIKey of (6R)-10-ethyl-4-[[4-(2-hydroxyethoxy)phenyl]methyl]-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one?
The InChIKey is XXBBSDMBZWPUQV-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H33N3O3/c1-3-24-11-10-21(9-8-20(24)26)17-23(13-12-22(21)2)16-18-4-6-19(7-5-18)27-15-14-25/h4-7,25H,3,8-17H2,1-2H3/t21-/m1/s1.
What are the key properties of (6R)-10-ethyl-4-[[4-(2-hydroxyethoxy)phenyl]methyl]-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one?
(6R)-10-ethyl-4-[[4-(2-hydroxyethoxy)phenyl]methyl]-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one has a molecular weight of 375.51 g/mol, XLogP of 1.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-10-ethyl-4-[[4-(2-hydroxyethoxy)phenyl]methyl]-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one is sourced from PubChem (CID 97194524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).