7-acetyl-N-benzyl-2,7-diazaspiro[3.4]octane-2-carboxamide

C16H21N3O2 — CID 97472653

IUPAC7-acetyl-N-benzyl-2,7-diazaspiro[3.4]octane-2-carboxamide
SMILESCC(=O)N1CCC2(C1)CN(C(=O)NCc1ccccc1)C2
InChIInChI=1S/C16H21N3O2/c1-13(20)18-8-7-16(10-18)11-19(12-16)15(21)17-9-14-5-3-2-4-6-14/h2-6H,7-12H2,1H3,(H,17,21)
InChIKeyOACBLOZROAOMJG-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.45
Rot. Bonds2

About 7-acetyl-N-benzyl-2,7-diazaspiro[3.4]octane-2-carboxamide

7-acetyl-N-benzyl-2,7-diazaspiro[3.4]octane-2-carboxamide (PubChem CID 97472653) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 7-acetyl-N-benzyl-2,7-diazaspiro[3.4]octane-2-carboxamide.

Molecular Properties

Compound Name7-acetyl-N-benzyl-2,7-diazaspiro[3.4]octane-2-carboxamide
PubChem CID97472653
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name7-acetyl-N-benzyl-2,7-diazaspiro[3.4]octane-2-carboxamide
SMILESCC(=O)N1CCC2(C1)CN(C(=O)NCc1ccccc1)C2
InChIInChI=1S/C16H21N3O2/c1-13(20)18-8-7-16(10-18)11-19(12-16)15(21)17-9-14-5-3-2-4-6-14/h2-6H,7-12H2,1H3,(H,17,21)
InChIKeyOACBLOZROAOMJG-UHFFFAOYSA-N
XLogP1.45
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 110749470
3-amino-1-(benzylcarbamoyl)pyrrolidine-3-carboxylic acid
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N-benzyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 3729330
N-benzyl-2-methyl-7-oxa-2,10-diazaspiro[4.6]undecane-10-carboxamide
CID 131644499
N-benzyl-4,4-dimethylazepane-1-carboxamide
CID 103713688
N-benzyl-3-methoxy-3-methylazetidine-1-carboxamide
CID 130941448
N-benzyl-2,2-dimethylmorpholine-4-carboxamide
CID 38286944
N-benzyl-4-carbamothioyl-4-methylpiperidine-1-carboxamide
CID 107653594
N-benzylazonane-1-carboxamide
CID 130689649
1-N,3-N-dibenzyl-3-methylpiperidine-1,3-dicarboxamide
CID 53117404
N-benzyl-2-[2-(dimethylamino)ethyl]-3-oxo-2,9-diazaspiro[5.5]undecane-9-carboxamide
CID 72916067
N-benzyl-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide
CID 111732747

Frequently Asked Questions

What is the IUPAC name of 7-acetyl-N-benzyl-2,7-diazaspiro[3.4]octane-2-carboxamide?
The IUPAC name of 7-acetyl-N-benzyl-2,7-diazaspiro[3.4]octane-2-carboxamide (CID 97472653) is 7-acetyl-N-benzyl-2,7-diazaspiro[3.4]octane-2-carboxamide.
What is the SMILES notation for 7-acetyl-N-benzyl-2,7-diazaspiro[3.4]octane-2-carboxamide?
The canonical SMILES for 7-acetyl-N-benzyl-2,7-diazaspiro[3.4]octane-2-carboxamide is CC(=O)N1CCC2(C1)CN(C(=O)NCc1ccccc1)C2.
What is the InChIKey of 7-acetyl-N-benzyl-2,7-diazaspiro[3.4]octane-2-carboxamide?
The InChIKey is OACBLOZROAOMJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-13(20)18-8-7-16(10-18)11-19(12-16)15(21)17-9-14-5-3-2-4-6-14/h2-6H,7-12H2,1H3,(H,17,21).
What are the key properties of 7-acetyl-N-benzyl-2,7-diazaspiro[3.4]octane-2-carboxamide?
7-acetyl-N-benzyl-2,7-diazaspiro[3.4]octane-2-carboxamide has a molecular weight of 287.36 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-acetyl-N-benzyl-2,7-diazaspiro[3.4]octane-2-carboxamide is sourced from PubChem (CID 97472653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).