N-[(7S)-5-benzyl-5-azaspiro[2.4]heptan-7-yl]acetamide

C15H20N2O — CID 139918944

IUPACN-[(7S)-5-benzyl-5-azaspiro[2.4]heptan-7-yl]acetamide
SMILESCC(=O)N[C@@H]1CN(Cc2ccccc2)CC12CC2
InChIInChI=1S/C15H20N2O/c1-12(18)16-14-10-17(11-15(14)7-8-15)9-13-5-3-2-4-6-13/h2-6,14H,7-11H2,1H3,(H,16,18)/t14-/m1/s1
InChIKeyMUMVUSGKIZUDBV-CQSZACIVSA-N
MW244.34 g/mol
LogP1.79
Rot. Bonds3

About N-[(7S)-5-benzyl-5-azaspiro[2.4]heptan-7-yl]acetamide

N-[(7S)-5-benzyl-5-azaspiro[2.4]heptan-7-yl]acetamide (PubChem CID 139918944) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is N-[(7S)-5-benzyl-5-azaspiro[2.4]heptan-7-yl]acetamide.

Molecular Properties

Compound NameN-[(7S)-5-benzyl-5-azaspiro[2.4]heptan-7-yl]acetamide
PubChem CID139918944
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC NameN-[(7S)-5-benzyl-5-azaspiro[2.4]heptan-7-yl]acetamide
SMILESCC(=O)N[C@@H]1CN(Cc2ccccc2)CC12CC2
InChIInChI=1S/C15H20N2O/c1-12(18)16-14-10-17(11-15(14)7-8-15)9-13-5-3-2-4-6-13/h2-6,14H,7-11H2,1H3,(H,16,18)/t14-/m1/s1
InChIKeyMUMVUSGKIZUDBV-CQSZACIVSA-N
XLogP1.79
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(8R)-5-benzyl-8-methyl-5-azaspiro[2.5]octan-7-yl]carbamic acid
CID 20792051
5-benzyl-5-azaspiro[2.4]heptan-7-ol
CID 58452923
tert-butyl N-(7-benzyl-2-oxa-7-azaspiro[3.4]octan-5-yl)carbamate
CID 86691374
N-(5-benzyl-5-azaspiro[2.4]heptan-7-yl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 165340323
tert-butyl N-(5-benzyl-8-methyl-5-azaspiro[2.5]octan-7-yl)carbamate
CID 20792134
N-(1-benzyl-4,4-difluoropyrrolidin-3-yl)-2,2-dimethylpropanamide
CID 67294048
N-[(3S)-1-benzylpiperidin-3-yl]acetamide
CID 58526543
[(3R)-1-benzyl-5,5-dimethylpiperidin-3-yl]carbamic acid
CID 129241403
1-benzyl-4,4-dimethylpyrrolidine-3-carboxylic acid
CID 5081554
methyl (1R,5S)-3-benzyl-3-azabicyclo[3.2.0]heptane-1-carboxylate
CID 129499579
N-[(3-acetamido-1-benzylpyrrolidin-3-yl)methyl]acetamide
CID 126807065
N-[(1R,5S)-3-benzyl-8-methyl-3-azabicyclo[3.2.1]octan-8-yl]acetamide
CID 70655630

Frequently Asked Questions

What is the IUPAC name of N-[(7S)-5-benzyl-5-azaspiro[2.4]heptan-7-yl]acetamide?
The IUPAC name of N-[(7S)-5-benzyl-5-azaspiro[2.4]heptan-7-yl]acetamide (CID 139918944) is N-[(7S)-5-benzyl-5-azaspiro[2.4]heptan-7-yl]acetamide.
What is the SMILES notation for N-[(7S)-5-benzyl-5-azaspiro[2.4]heptan-7-yl]acetamide?
The canonical SMILES for N-[(7S)-5-benzyl-5-azaspiro[2.4]heptan-7-yl]acetamide is CC(=O)N[C@@H]1CN(Cc2ccccc2)CC12CC2.
What is the InChIKey of N-[(7S)-5-benzyl-5-azaspiro[2.4]heptan-7-yl]acetamide?
The InChIKey is MUMVUSGKIZUDBV-CQSZACIVSA-N. The full InChI is InChI=1S/C15H20N2O/c1-12(18)16-14-10-17(11-15(14)7-8-15)9-13-5-3-2-4-6-13/h2-6,14H,7-11H2,1H3,(H,16,18)/t14-/m1/s1.
What are the key properties of N-[(7S)-5-benzyl-5-azaspiro[2.4]heptan-7-yl]acetamide?
N-[(7S)-5-benzyl-5-azaspiro[2.4]heptan-7-yl]acetamide has a molecular weight of 244.34 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7S)-5-benzyl-5-azaspiro[2.4]heptan-7-yl]acetamide is sourced from PubChem (CID 139918944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).