N-methyl-2-[7-(2-phenylacetyl)-1,7-diazaspiro[3.4]octan-1-yl]acetamide

C17H23N3O2 — CID 118745149

IUPACN-methyl-2-[7-(2-phenylacetyl)-1,7-diazaspiro[3.4]octan-1-yl]acetamide
SMILESCNC(=O)CN1CCC12CCN(C(=O)Cc1ccccc1)C2
InChIInChI=1S/C17H23N3O2/c1-18-15(21)12-20-10-8-17(20)7-9-19(13-17)16(22)11-14-5-3-2-4-6-14/h2-6H,7-13H2,1H3,(H,18,21)
InChIKeyKYBFGQWXVJATRZ-UHFFFAOYSA-N
MW301.39 g/mol
LogP0.65
Rot. Bonds4

About N-methyl-2-[7-(2-phenylacetyl)-1,7-diazaspiro[3.4]octan-1-yl]acetamide

N-methyl-2-[7-(2-phenylacetyl)-1,7-diazaspiro[3.4]octan-1-yl]acetamide (PubChem CID 118745149) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is N-methyl-2-[7-(2-phenylacetyl)-1,7-diazaspiro[3.4]octan-1-yl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[7-(2-phenylacetyl)-1,7-diazaspiro[3.4]octan-1-yl]acetamide
PubChem CID118745149
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC NameN-methyl-2-[7-(2-phenylacetyl)-1,7-diazaspiro[3.4]octan-1-yl]acetamide
SMILESCNC(=O)CN1CCC12CCN(C(=O)Cc1ccccc1)C2
InChIInChI=1S/C17H23N3O2/c1-18-15(21)12-20-10-8-17(20)7-9-19(13-17)16(22)11-14-5-3-2-4-6-14/h2-6H,7-13H2,1H3,(H,18,21)
InChIKeyKYBFGQWXVJATRZ-UHFFFAOYSA-N
XLogP0.65
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-[7-(1-methylpyrazole-3-carbonyl)-1,7-diazaspiro[3.4]octan-1-yl]acetamide
CID 134072659
N-methyl-2-[[(3R,5R)-7-(2-phenylacetyl)-1-oxa-7-azaspiro[4.4]nonan-3-yl]oxy]acetamide
CID 97394281
2-[8-(furan-2-carbonyl)-1,8-diazaspiro[4.5]decan-1-yl]-N-methylacetamide
CID 97493598
1-(1-benzyl-1,9-diazaspiro[4.5]decan-9-yl)-2-(4-chlorophenyl)ethanone
CID 131647501
3-hydroxy-1-(2-phenylacetyl)piperidine-3-carboxylic acid
CID 146130229
N-methyl-1-(2-phenylacetyl)-4-[(4-phenylphenyl)methyl]piperidine-4-carboxamide
CID 155982862
4-methyl-1-(2-phenylacetyl)piperidine-4-carboxamide
CID 110097823
1-(2,7-diazaspiro[4.4]nonan-2-yl)-2-phenylethanone
CID 82038242
2-(4-aminophenyl)-1-[3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]ethanone;hydrochloride
CID 119811821
1-(azetidin-1-yl)-2-phenylethanone
CID 18670940
1-(3,3-difluoroazetidin-1-yl)-2-phenylethanone
CID 141369177
1-[(3S)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]-2-pyridin-4-ylethanone
CID 97271298

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[7-(2-phenylacetyl)-1,7-diazaspiro[3.4]octan-1-yl]acetamide?
The IUPAC name of N-methyl-2-[7-(2-phenylacetyl)-1,7-diazaspiro[3.4]octan-1-yl]acetamide (CID 118745149) is N-methyl-2-[7-(2-phenylacetyl)-1,7-diazaspiro[3.4]octan-1-yl]acetamide.
What is the SMILES notation for N-methyl-2-[7-(2-phenylacetyl)-1,7-diazaspiro[3.4]octan-1-yl]acetamide?
The canonical SMILES for N-methyl-2-[7-(2-phenylacetyl)-1,7-diazaspiro[3.4]octan-1-yl]acetamide is CNC(=O)CN1CCC12CCN(C(=O)Cc1ccccc1)C2.
What is the InChIKey of N-methyl-2-[7-(2-phenylacetyl)-1,7-diazaspiro[3.4]octan-1-yl]acetamide?
The InChIKey is KYBFGQWXVJATRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-18-15(21)12-20-10-8-17(20)7-9-19(13-17)16(22)11-14-5-3-2-4-6-14/h2-6H,7-13H2,1H3,(H,18,21).
What are the key properties of N-methyl-2-[7-(2-phenylacetyl)-1,7-diazaspiro[3.4]octan-1-yl]acetamide?
N-methyl-2-[7-(2-phenylacetyl)-1,7-diazaspiro[3.4]octan-1-yl]acetamide has a molecular weight of 301.39 g/mol, XLogP of 0.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[7-(2-phenylacetyl)-1,7-diazaspiro[3.4]octan-1-yl]acetamide is sourced from PubChem (CID 118745149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).