N-benzyl-2-methyl-7-oxa-2,10-diazaspiro[4.6]undecane-10-carboxamide

C17H25N3O2 — CID 131644499

IUPACN-benzyl-2-methyl-7-oxa-2,10-diazaspiro[4.6]undecane-10-carboxamide
SMILESCN1CCC2(COCCN(C(=O)NCc3ccccc3)C2)C1
InChIInChI=1S/C17H25N3O2/c1-19-8-7-17(12-19)13-20(9-10-22-14-17)16(21)18-11-15-5-3-2-4-6-15/h2-6H,7-14H2,1H3,(H,18,21)
InChIKeyPYXCPGHTOWINCX-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.55
Rot. Bonds2

About N-benzyl-2-methyl-7-oxa-2,10-diazaspiro[4.6]undecane-10-carboxamide

N-benzyl-2-methyl-7-oxa-2,10-diazaspiro[4.6]undecane-10-carboxamide (PubChem CID 131644499) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is N-benzyl-2-methyl-7-oxa-2,10-diazaspiro[4.6]undecane-10-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-methyl-7-oxa-2,10-diazaspiro[4.6]undecane-10-carboxamide
PubChem CID131644499
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC NameN-benzyl-2-methyl-7-oxa-2,10-diazaspiro[4.6]undecane-10-carboxamide
SMILESCN1CCC2(COCCN(C(=O)NCc3ccccc3)C2)C1
InChIInChI=1S/C17H25N3O2/c1-19-8-7-17(12-19)13-20(9-10-22-14-17)16(21)18-11-15-5-3-2-4-6-15/h2-6H,7-14H2,1H3,(H,18,21)
InChIKeyPYXCPGHTOWINCX-UHFFFAOYSA-N
XLogP1.55
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methyl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl)-3-phenylpropan-1-one
CID 131644918
7-acetyl-N-benzyl-2,7-diazaspiro[3.4]octane-2-carboxamide
CID 97472653
N-benzyl-2,2-dimethylmorpholine-4-carboxamide
CID 38286944
1-[(5R)-2-methyl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-2-(4-methylphenyl)ethanone
CID 97471970
3-amino-1-(benzylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 107654401
1-N,3-N-dibenzyl-3-methylpiperidine-1,3-dicarboxamide
CID 53117404
N-benzyl-4,4-dimethyl-1,3-oxazolidine-3-carboxamide
CID 110749603
3-[(5R)-2-methyl-7-oxa-2,10-diazaspiro[4.6]undecane-10-carbonyl]benzonitrile
CID 97471967
N-benzyl-4,4-dimethylpiperidine-1-carboxamide
CID 110749470
1-(benzylcarbamoyl)-3-ethylpiperidine-3-carboxylic acid
CID 63138228
1-[(5S)-2-(2-methoxyethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-2-phenylethanone
CID 97472026
7-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-2,7-diazaspiro[4.4]nonane-2-carboxamide
CID 139009201

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-methyl-7-oxa-2,10-diazaspiro[4.6]undecane-10-carboxamide?
The IUPAC name of N-benzyl-2-methyl-7-oxa-2,10-diazaspiro[4.6]undecane-10-carboxamide (CID 131644499) is N-benzyl-2-methyl-7-oxa-2,10-diazaspiro[4.6]undecane-10-carboxamide.
What is the SMILES notation for N-benzyl-2-methyl-7-oxa-2,10-diazaspiro[4.6]undecane-10-carboxamide?
The canonical SMILES for N-benzyl-2-methyl-7-oxa-2,10-diazaspiro[4.6]undecane-10-carboxamide is CN1CCC2(COCCN(C(=O)NCc3ccccc3)C2)C1.
What is the InChIKey of N-benzyl-2-methyl-7-oxa-2,10-diazaspiro[4.6]undecane-10-carboxamide?
The InChIKey is PYXCPGHTOWINCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-19-8-7-17(12-19)13-20(9-10-22-14-17)16(21)18-11-15-5-3-2-4-6-15/h2-6H,7-14H2,1H3,(H,18,21).
What are the key properties of N-benzyl-2-methyl-7-oxa-2,10-diazaspiro[4.6]undecane-10-carboxamide?
N-benzyl-2-methyl-7-oxa-2,10-diazaspiro[4.6]undecane-10-carboxamide has a molecular weight of 303.41 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-methyl-7-oxa-2,10-diazaspiro[4.6]undecane-10-carboxamide is sourced from PubChem (CID 131644499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).