(6R)-10-ethyl-1-methyl-4-(3-phenylpropanoyl)-1,4,10-triazaspiro[5.6]dodecan-9-one

C21H31N3O2 — CID 97152905

IUPAC(6R)-10-ethyl-1-methyl-4-(3-phenylpropanoyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESCCN1CC[C@]2(CCC1=O)CN(C(=O)CCc1ccccc1)CCN2C
InChIInChI=1S/C21H31N3O2/c1-3-23-14-13-21(12-11-20(23)26)17-24(16-15-22(21)2)19(25)10-9-18-7-5-4-6-8-18/h4-8H,3,9-17H2,1-2H3/t21-/m1/s1
InChIKeyNJPJHWZHVNHQIW-OAQYLSRUSA-N
MW357.50 g/mol
LogP2.16
Rot. Bonds4

About (6R)-10-ethyl-1-methyl-4-(3-phenylpropanoyl)-1,4,10-triazaspiro[5.6]dodecan-9-one

(6R)-10-ethyl-1-methyl-4-(3-phenylpropanoyl)-1,4,10-triazaspiro[5.6]dodecan-9-one (PubChem CID 97152905) has the molecular formula C21H31N3O2 and a molecular weight of 357.50 g/mol. Its IUPAC name is (6R)-10-ethyl-1-methyl-4-(3-phenylpropanoyl)-1,4,10-triazaspiro[5.6]dodecan-9-one.

Molecular Properties

Compound Name(6R)-10-ethyl-1-methyl-4-(3-phenylpropanoyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
PubChem CID97152905
Molecular FormulaC21H31N3O2
Molecular Weight357.50 g/mol
Exact Mass357.24
IUPAC Name(6R)-10-ethyl-1-methyl-4-(3-phenylpropanoyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESCCN1CC[C@]2(CCC1=O)CN(C(=O)CCc1ccccc1)CCN2C
InChIInChI=1S/C21H31N3O2/c1-3-23-14-13-21(12-11-20(23)26)17-24(16-15-22(21)2)19(25)10-9-18-7-5-4-6-8-18/h4-8H,3,9-17H2,1-2H3/t21-/m1/s1
InChIKeyNJPJHWZHVNHQIW-OAQYLSRUSA-N
XLogP2.16
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (6R)-10-ethyl-1-methyl-4-(3-phenylpropanoyl)-1,4,10-triazaspiro[5.6]dodecan-9-one with MolForge

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Related Compounds

(6R)-10-ethyl-4-(5-methoxyfuran-2-carbonyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97152716
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CID 97203698
10-ethyl-4-[5-(methoxymethyl)furan-2-carbonyl]-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 72884563
10-ethyl-1-methyl-4-[5-(methylsulfanylmethyl)furan-2-carbonyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 72854082
(6S)-N-(3,4-difluorophenyl)-10-ethyl-1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecane-4-carboxamide
CID 97191054
10-(cyclopropylmethyl)-4-(3-ethoxypropanoyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
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CID 97272056
6-methyl-2-(3-phenylpropanoyl)-9-thiophen-3-yl-2,6,9-triazaspiro[4.5]decan-8-one
CID 131652304
(6R)-10-ethyl-4-(4-ethyl-5-methylthiophene-3-carbonyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97205404
(6R)-N,1-dimethyl-9-oxo-N-phenyl-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecane-4-carboxamide
CID 97130965
(6R)-4-(furan-2-carbonyl)-10-(2-methoxyethyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97150981
(6S)-1,10-dimethyl-4-(4-pyrazol-1-ylbutanoyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
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Frequently Asked Questions

What is the IUPAC name of (6R)-10-ethyl-1-methyl-4-(3-phenylpropanoyl)-1,4,10-triazaspiro[5.6]dodecan-9-one?
The IUPAC name of (6R)-10-ethyl-1-methyl-4-(3-phenylpropanoyl)-1,4,10-triazaspiro[5.6]dodecan-9-one (CID 97152905) is (6R)-10-ethyl-1-methyl-4-(3-phenylpropanoyl)-1,4,10-triazaspiro[5.6]dodecan-9-one.
What is the SMILES notation for (6R)-10-ethyl-1-methyl-4-(3-phenylpropanoyl)-1,4,10-triazaspiro[5.6]dodecan-9-one?
The canonical SMILES for (6R)-10-ethyl-1-methyl-4-(3-phenylpropanoyl)-1,4,10-triazaspiro[5.6]dodecan-9-one is CCN1CC[C@]2(CCC1=O)CN(C(=O)CCc1ccccc1)CCN2C.
What is the InChIKey of (6R)-10-ethyl-1-methyl-4-(3-phenylpropanoyl)-1,4,10-triazaspiro[5.6]dodecan-9-one?
The InChIKey is NJPJHWZHVNHQIW-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H31N3O2/c1-3-23-14-13-21(12-11-20(23)26)17-24(16-15-22(21)2)19(25)10-9-18-7-5-4-6-8-18/h4-8H,3,9-17H2,1-2H3/t21-/m1/s1.
What are the key properties of (6R)-10-ethyl-1-methyl-4-(3-phenylpropanoyl)-1,4,10-triazaspiro[5.6]dodecan-9-one?
(6R)-10-ethyl-1-methyl-4-(3-phenylpropanoyl)-1,4,10-triazaspiro[5.6]dodecan-9-one has a molecular weight of 357.50 g/mol, XLogP of 2.16, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-10-ethyl-1-methyl-4-(3-phenylpropanoyl)-1,4,10-triazaspiro[5.6]dodecan-9-one is sourced from PubChem (CID 97152905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).