2,7-diazaspiro[4.4]nonan-2-yl-(1-phenylcyclobutyl)methanone

C18H24N2O — CID 82038165

IUPAC2,7-diazaspiro[4.4]nonan-2-yl-(1-phenylcyclobutyl)methanone
SMILESO=C(N1CCC2(CCNC2)C1)C1(c2ccccc2)CCC1
InChIInChI=1S/C18H24N2O/c21-16(20-12-10-17(14-20)9-11-19-13-17)18(7-4-8-18)15-5-2-1-3-6-15/h1-3,5-6,19H,4,7-14H2
InChIKeyXMDUAUXAYIZZQZ-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.32
Rot. Bonds2

About 2,7-diazaspiro[4.4]nonan-2-yl-(1-phenylcyclobutyl)methanone

2,7-diazaspiro[4.4]nonan-2-yl-(1-phenylcyclobutyl)methanone (PubChem CID 82038165) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 2,7-diazaspiro[4.4]nonan-2-yl-(1-phenylcyclobutyl)methanone.

Molecular Properties

Compound Name2,7-diazaspiro[4.4]nonan-2-yl-(1-phenylcyclobutyl)methanone
PubChem CID82038165
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name2,7-diazaspiro[4.4]nonan-2-yl-(1-phenylcyclobutyl)methanone
SMILESO=C(N1CCC2(CCNC2)C1)C1(c2ccccc2)CCC1
InChIInChI=1S/C18H24N2O/c21-16(20-12-10-17(14-20)9-11-19-13-17)18(7-4-8-18)15-5-2-1-3-6-15/h1-3,5-6,19H,4,7-14H2
InChIKeyXMDUAUXAYIZZQZ-UHFFFAOYSA-N
XLogP2.32
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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F 1459
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2-(aminomethyl)-N-ethyl-1-phenyl-N-propylcyclopropane-1-carboxamide
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1-phenyl-N-(2-phenylethyl)cyclopentane-1-carboxamide
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2-Pyrrolidinone, 3-phenyl-
CID 201789
4-Methyl-4-phenylpyrrolidin-2-one
CID 4593357
3-Benzyl-3-methylpyrrolidin-2-one
CID 10420013
(4R)-4-phenylpyrrolidin-2-one
CID 641621
N-ethyl-1-phenylcyclopentanecarboxamide
CID 778764

Frequently Asked Questions

What is the IUPAC name of 2,7-diazaspiro[4.4]nonan-2-yl-(1-phenylcyclobutyl)methanone?
The IUPAC name of 2,7-diazaspiro[4.4]nonan-2-yl-(1-phenylcyclobutyl)methanone (CID 82038165) is 2,7-diazaspiro[4.4]nonan-2-yl-(1-phenylcyclobutyl)methanone.
What is the SMILES notation for 2,7-diazaspiro[4.4]nonan-2-yl-(1-phenylcyclobutyl)methanone?
The canonical SMILES for 2,7-diazaspiro[4.4]nonan-2-yl-(1-phenylcyclobutyl)methanone is O=C(N1CCC2(CCNC2)C1)C1(c2ccccc2)CCC1.
What is the InChIKey of 2,7-diazaspiro[4.4]nonan-2-yl-(1-phenylcyclobutyl)methanone?
The InChIKey is XMDUAUXAYIZZQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c21-16(20-12-10-17(14-20)9-11-19-13-17)18(7-4-8-18)15-5-2-1-3-6-15/h1-3,5-6,19H,4,7-14H2.
What are the key properties of 2,7-diazaspiro[4.4]nonan-2-yl-(1-phenylcyclobutyl)methanone?
2,7-diazaspiro[4.4]nonan-2-yl-(1-phenylcyclobutyl)methanone has a molecular weight of 284.40 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-diazaspiro[4.4]nonan-2-yl-(1-phenylcyclobutyl)methanone is sourced from PubChem (CID 82038165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).