1-(6-azaspiro[2.5]octan-2-yl)-3-phenylpropan-1-one

C16H21NO — CID 116573115

IUPAC1-(6-azaspiro[2.5]octan-2-yl)-3-phenylpropan-1-one
SMILESO=C(CCc1ccccc1)C1CC12CCNCC2
InChIInChI=1S/C16H21NO/c18-15(7-6-13-4-2-1-3-5-13)14-12-16(14)8-10-17-11-9-16/h1-5,14,17H,6-12H2
InChIKeyRDZUBRQSTOYLPO-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.58
Rot. Bonds4

About 1-(6-azaspiro[2.5]octan-2-yl)-3-phenylpropan-1-one

1-(6-azaspiro[2.5]octan-2-yl)-3-phenylpropan-1-one (PubChem CID 116573115) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is 1-(6-azaspiro[2.5]octan-2-yl)-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-(6-azaspiro[2.5]octan-2-yl)-3-phenylpropan-1-one
PubChem CID116573115
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name1-(6-azaspiro[2.5]octan-2-yl)-3-phenylpropan-1-one
SMILESO=C(CCc1ccccc1)C1CC12CCNCC2
InChIInChI=1S/C16H21NO/c18-15(7-6-13-4-2-1-3-5-13)14-12-16(14)8-10-17-11-9-16/h1-5,14,17H,6-12H2
InChIKeyRDZUBRQSTOYLPO-UHFFFAOYSA-N
XLogP2.58
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

benzyl 6-azaspiro[2.5]octane-2-carboxylate
CID 163299046
1-(2,2-dimethylcyclopropyl)-3-phenylpropan-1-one
CID 107003801
6-azaspiro[2.5]octane-2-carboxylic acid
CID 51342230
1-cyclopropyl-3-phenylpropan-1-one
CID 24725607
N-(1,3-diphenylpropan-2-yl)-5-azaspiro[2.4]heptane-2-carboxamide
CID 167785037
1-[(2R)-6-azaspiro[2.5]octan-2-yl]-2-[3,5-bis(trifluoromethyl)phenyl]ethanone
CID 159609611
6-azaspiro[2.5]octan-2-yl(naphthalen-2-yl)methanone
CID 116573122
4-benzylpiperidine-4-carboxylic acid
CID 18365178
3-phenyl-N-piperidin-4-ylpropanamide
CID 16795625
1-(6-azaspiro[2.5]octan-2-yl)-2-(2-chloro-5-fluorophenyl)ethanone
CID 102622121
1-(6-azaspiro[2.5]octan-2-yl)-2-(4-bromo-2-fluorophenyl)ethanone
CID 116573221
3-phenyl-1-(1-piperidin-4-ylpyrrolidin-2-yl)propan-1-one
CID 116559712

Frequently Asked Questions

What is the IUPAC name of 1-(6-azaspiro[2.5]octan-2-yl)-3-phenylpropan-1-one?
The IUPAC name of 1-(6-azaspiro[2.5]octan-2-yl)-3-phenylpropan-1-one (CID 116573115) is 1-(6-azaspiro[2.5]octan-2-yl)-3-phenylpropan-1-one.
What is the SMILES notation for 1-(6-azaspiro[2.5]octan-2-yl)-3-phenylpropan-1-one?
The canonical SMILES for 1-(6-azaspiro[2.5]octan-2-yl)-3-phenylpropan-1-one is O=C(CCc1ccccc1)C1CC12CCNCC2.
What is the InChIKey of 1-(6-azaspiro[2.5]octan-2-yl)-3-phenylpropan-1-one?
The InChIKey is RDZUBRQSTOYLPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c18-15(7-6-13-4-2-1-3-5-13)14-12-16(14)8-10-17-11-9-16/h1-5,14,17H,6-12H2.
What are the key properties of 1-(6-azaspiro[2.5]octan-2-yl)-3-phenylpropan-1-one?
1-(6-azaspiro[2.5]octan-2-yl)-3-phenylpropan-1-one has a molecular weight of 243.35 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-azaspiro[2.5]octan-2-yl)-3-phenylpropan-1-one is sourced from PubChem (CID 116573115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).