(5R)-N-benzyl-7-(2-methylpropanoyl)-3-oxo-2,7,10-triazaspiro[4.6]undecane-10-carboxamide

C20H28N4O3 — CID 97438905

IUPAC(5R)-N-benzyl-7-(2-methylpropanoyl)-3-oxo-2,7,10-triazaspiro[4.6]undecane-10-carboxamide
SMILESCC(C)C(=O)N1CCN(C(=O)NCc2ccccc2)C[C@]2(CNC(=O)C2)C1
InChIInChI=1S/C20H28N4O3/c1-15(2)18(26)23-8-9-24(14-20(13-23)10-17(25)22-12-20)19(27)21-11-16-6-4-3-5-7-16/h3-7,15H,8-14H2,1-2H3,(H,21,27)(H,22,25)/t20-/m1/s1
InChIKeyXSXOHBQLYIPUDW-HXUWFJFHSA-N
MW372.47 g/mol
LogP1.20
Rot. Bonds3

About (5R)-N-benzyl-7-(2-methylpropanoyl)-3-oxo-2,7,10-triazaspiro[4.6]undecane-10-carboxamide

(5R)-N-benzyl-7-(2-methylpropanoyl)-3-oxo-2,7,10-triazaspiro[4.6]undecane-10-carboxamide (PubChem CID 97438905) has the molecular formula C20H28N4O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is (5R)-N-benzyl-7-(2-methylpropanoyl)-3-oxo-2,7,10-triazaspiro[4.6]undecane-10-carboxamide.

Molecular Properties

Compound Name(5R)-N-benzyl-7-(2-methylpropanoyl)-3-oxo-2,7,10-triazaspiro[4.6]undecane-10-carboxamide
PubChem CID97438905
Molecular FormulaC20H28N4O3
Molecular Weight372.47 g/mol
Exact Mass372.22
IUPAC Name(5R)-N-benzyl-7-(2-methylpropanoyl)-3-oxo-2,7,10-triazaspiro[4.6]undecane-10-carboxamide
SMILESCC(C)C(=O)N1CCN(C(=O)NCc2ccccc2)C[C@]2(CNC(=O)C2)C1
InChIInChI=1S/C20H28N4O3/c1-15(2)18(26)23-8-9-24(14-20(13-23)10-17(25)22-12-20)19(27)21-11-16-6-4-3-5-7-16/h3-7,15H,8-14H2,1-2H3,(H,21,27)(H,22,25)/t20-/m1/s1
InChIKeyXSXOHBQLYIPUDW-HXUWFJFHSA-N
XLogP1.20
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (5R)-N-benzyl-7-(2-methylpropanoyl)-3-oxo-2,7,10-triazaspiro[4.6]undecane-10-carboxamide with MolForge

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Related Compounds

(5S)-7-N-[(3-methoxyphenyl)methyl]-10-N,10-N-dimethyl-3-oxo-2,7,10-triazaspiro[4.6]undecane-7,10-dicarboxamide
CID 97438931
(5R)-10-N,10-N-dimethyl-3-oxo-7-N-phenyl-2,7,10-triazaspiro[4.6]undecane-7,10-dicarboxamide
CID 97438924
(5S)-3-oxo-N-propan-2-yl-7-(pyridin-3-ylmethyl)-2,7,10-triazaspiro[4.6]undecane-10-carboxamide
CID 97360036
4-[[[4-(2-methylpropanoyl)piperazine-1-carbonyl]amino]methyl]benzoic acid
CID 122019575
8-oxo-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carboxamide
CID 139010902
7-acetyl-N-benzyl-2,7-diazaspiro[3.4]octane-2-carboxamide
CID 97472653
(5S)-7-(furan-3-ylmethyl)-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-10-carboxamide
CID 97360020
(5S)-7-(1-methylpyrrole-2-carbonyl)-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-10-carboxamide
CID 97360042
N-benzyl-4-(2-methylpropyl)piperazine-1-carboxamide
CID 47120826
7-[2-(2-ethylphenoxy)-2-phenylacetyl]-2,7-diazaspiro[4.5]decan-3-one
CID 102558464
N-benzyl-2,2-dimethylmorpholine-4-carboxamide
CID 38286944
N-benzyl-4,4-dimethylpiperidine-1-carboxamide
CID 110749470

Frequently Asked Questions

What is the IUPAC name of (5R)-N-benzyl-7-(2-methylpropanoyl)-3-oxo-2,7,10-triazaspiro[4.6]undecane-10-carboxamide?
The IUPAC name of (5R)-N-benzyl-7-(2-methylpropanoyl)-3-oxo-2,7,10-triazaspiro[4.6]undecane-10-carboxamide (CID 97438905) is (5R)-N-benzyl-7-(2-methylpropanoyl)-3-oxo-2,7,10-triazaspiro[4.6]undecane-10-carboxamide.
What is the SMILES notation for (5R)-N-benzyl-7-(2-methylpropanoyl)-3-oxo-2,7,10-triazaspiro[4.6]undecane-10-carboxamide?
The canonical SMILES for (5R)-N-benzyl-7-(2-methylpropanoyl)-3-oxo-2,7,10-triazaspiro[4.6]undecane-10-carboxamide is CC(C)C(=O)N1CCN(C(=O)NCc2ccccc2)C[C@]2(CNC(=O)C2)C1.
What is the InChIKey of (5R)-N-benzyl-7-(2-methylpropanoyl)-3-oxo-2,7,10-triazaspiro[4.6]undecane-10-carboxamide?
The InChIKey is XSXOHBQLYIPUDW-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H28N4O3/c1-15(2)18(26)23-8-9-24(14-20(13-23)10-17(25)22-12-20)19(27)21-11-16-6-4-3-5-7-16/h3-7,15H,8-14H2,1-2H3,(H,21,27)(H,22,25)/t20-/m1/s1.
What are the key properties of (5R)-N-benzyl-7-(2-methylpropanoyl)-3-oxo-2,7,10-triazaspiro[4.6]undecane-10-carboxamide?
(5R)-N-benzyl-7-(2-methylpropanoyl)-3-oxo-2,7,10-triazaspiro[4.6]undecane-10-carboxamide has a molecular weight of 372.47 g/mol, XLogP of 1.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-N-benzyl-7-(2-methylpropanoyl)-3-oxo-2,7,10-triazaspiro[4.6]undecane-10-carboxamide is sourced from PubChem (CID 97438905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).