1-(2-benzhydryl-2,7-diazaspiro[3.5]nonan-7-yl)-2-methoxyethanone

C23H28N2O2 — CID 3234333

IUPAC1-(2-benzhydryl-2,7-diazaspiro[3.5]nonan-7-yl)-2-methoxyethanone
SMILESCOCC(=O)N1CCC2(CC1)CN(C(c1ccccc1)c1ccccc1)C2
InChIInChI=1S/C23H28N2O2/c1-27-16-21(26)24-14-12-23(13-15-24)17-25(18-23)22(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-11,22H,12-18H2,1H3
InChIKeyDQRBLDKHCLDKSJ-UHFFFAOYSA-N
MW364.49 g/mol
LogP3.35
Rot. Bonds5

About 1-(2-benzhydryl-2,7-diazaspiro[3.5]nonan-7-yl)-2-methoxyethanone

1-(2-benzhydryl-2,7-diazaspiro[3.5]nonan-7-yl)-2-methoxyethanone (PubChem CID 3234333) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 1-(2-benzhydryl-2,7-diazaspiro[3.5]nonan-7-yl)-2-methoxyethanone.

Molecular Properties

Compound Name1-(2-benzhydryl-2,7-diazaspiro[3.5]nonan-7-yl)-2-methoxyethanone
PubChem CID3234333
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Name1-(2-benzhydryl-2,7-diazaspiro[3.5]nonan-7-yl)-2-methoxyethanone
SMILESCOCC(=O)N1CCC2(CC1)CN(C(c1ccccc1)c1ccccc1)C2
InChIInChI=1S/C23H28N2O2/c1-27-16-21(26)24-14-12-23(13-15-24)17-25(18-23)22(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-11,22H,12-18H2,1H3
InChIKeyDQRBLDKHCLDKSJ-UHFFFAOYSA-N
XLogP3.35
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(9-benzyl-3,9-diazaspiro[5.5]undecan-3-yl)-2-methoxyethanone
CID 3235224
3-amino-1-[4-(2-methoxyacetyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 119949477
2-methoxy-1-[3-(thiophene-2-carbonyl)-3,9-diazaspiro[5.5]undecan-9-yl]ethanone
CID 97370699
1-[(4S)-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-2-methoxyethanone
CID 97118763
1-[(5S)-2-benzyl-2,7-diazaspiro[4.5]decan-7-yl]-2-methoxyethanone
CID 3233949
1-(4-benzhydrylpiperazin-1-yl)-2-(4-methylphenoxy)ethanone
CID 2893693
1-(6-azaspiro[2.5]octan-6-yl)-2-phenoxyethanone
CID 97399323
N-(3-cyanophenyl)-7-(2-methoxyacetyl)-2,7-diazaspiro[3.5]nonane-2-carboxamide
CID 3233668
6-(2-methoxyacetyl)-6-azaspiro[3.4]octan-2-one
CID 139295195
2-methoxy-1-[9-[(3-propan-2-yloxyphenyl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]ethanone
CID 56903739
tert-butyl 2-benzhydryl-2,9-diazaspiro[3.6]decane-9-carboxylate
CID 170772009
N-(1,2-diphenylethyl)-4-(2-methoxyacetyl)piperazine-1-carboxamide
CID 87000159

Frequently Asked Questions

What is the IUPAC name of 1-(2-benzhydryl-2,7-diazaspiro[3.5]nonan-7-yl)-2-methoxyethanone?
The IUPAC name of 1-(2-benzhydryl-2,7-diazaspiro[3.5]nonan-7-yl)-2-methoxyethanone (CID 3234333) is 1-(2-benzhydryl-2,7-diazaspiro[3.5]nonan-7-yl)-2-methoxyethanone.
What is the SMILES notation for 1-(2-benzhydryl-2,7-diazaspiro[3.5]nonan-7-yl)-2-methoxyethanone?
The canonical SMILES for 1-(2-benzhydryl-2,7-diazaspiro[3.5]nonan-7-yl)-2-methoxyethanone is COCC(=O)N1CCC2(CC1)CN(C(c1ccccc1)c1ccccc1)C2.
What is the InChIKey of 1-(2-benzhydryl-2,7-diazaspiro[3.5]nonan-7-yl)-2-methoxyethanone?
The InChIKey is DQRBLDKHCLDKSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-27-16-21(26)24-14-12-23(13-15-24)17-25(18-23)22(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-11,22H,12-18H2,1H3.
What are the key properties of 1-(2-benzhydryl-2,7-diazaspiro[3.5]nonan-7-yl)-2-methoxyethanone?
1-(2-benzhydryl-2,7-diazaspiro[3.5]nonan-7-yl)-2-methoxyethanone has a molecular weight of 364.49 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-benzhydryl-2,7-diazaspiro[3.5]nonan-7-yl)-2-methoxyethanone is sourced from PubChem (CID 3234333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).