2-(4-cyclopropylphenyl)-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylic acid

C18H22N2O3 — CID 123809634

IUPAC2-(4-cyclopropylphenyl)-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylic acid
SMILESO=C(O)N1CCC2(CC1)CCN(c1ccc(C3CC3)cc1)C2=O
InChIInChI=1S/C18H22N2O3/c21-16-18(7-10-19(11-8-18)17(22)23)9-12-20(16)15-5-3-14(4-6-15)13-1-2-13/h3-6,13H,1-2,7-12H2,(H,22,23)
InChIKeyBFHMHJNNWRKDGH-UHFFFAOYSA-N
MW314.38 g/mol
LogP3.06
Rot. Bonds2

About 2-(4-cyclopropylphenyl)-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylic acid

2-(4-cyclopropylphenyl)-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylic acid (PubChem CID 123809634) has the molecular formula C18H22N2O3 and a molecular weight of 314.38 g/mol. Its IUPAC name is 2-(4-cyclopropylphenyl)-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylic acid.

Molecular Properties

Compound Name2-(4-cyclopropylphenyl)-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylic acid
PubChem CID123809634
Molecular FormulaC18H22N2O3
Molecular Weight314.38 g/mol
Exact Mass314.16
IUPAC Name2-(4-cyclopropylphenyl)-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylic acid
SMILESO=C(O)N1CCC2(CC1)CCN(c1ccc(C3CC3)cc1)C2=O
InChIInChI=1S/C18H22N2O3/c21-16-18(7-10-19(11-8-18)17(22)23)9-12-20(16)15-5-3-14(4-6-15)13-1-2-13/h3-6,13H,1-2,7-12H2,(H,22,23)
InChIKeyBFHMHJNNWRKDGH-UHFFFAOYSA-N
XLogP3.06
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-cyclopropylphenyl)-8-hydroxy-8-methyl-2-azaspiro[4.5]decan-1-one
CID 58230086
2-[2-(4-cyclopropylphenyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-N-(4-fluorophenyl)acetamide
CID 53234091
8-hydroxy-2-(4-methoxyphenyl)-2-azaspiro[4.5]decan-1-one
CID 52911976
8-hydroxy-2-(4-propan-2-ylphenyl)-2-azaspiro[4.5]decan-1-one
CID 52911982
9-(cyclopropanecarbonyl)-2-phenyl-2,9-diazaspiro[4.5]decan-1-one
CID 155875537
8-(2-cyclobutylacetyl)-2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decan-1-one
CID 59577965
2-[4-[(1S,3S)-3-[(2S)-2-methylpyrrolidin-1-yl]cyclopentyl]phenyl]-8-oxa-2-azaspiro[4.5]decan-1-one
CID 67479016
8-benzoyl-2-thiophen-3-yl-2,8-diazaspiro[4.5]decan-1-one
CID 131688555
2-phenyl-8-[1-(pyridazin-4-ylmethyl)piperidine-4-carbonyl]-2,8-diazaspiro[4.5]decan-1-one
CID 58334992
2-(4-bromophenyl)-8-oxa-2-azaspiro[4.5]decan-1-one
CID 58468052
tert-butyl 2-[4-[4-[(2S)-2-methylpyrrolidin-1-yl]piperidin-1-yl]phenyl]-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate
CID 46208234
2-(4-fluorophenyl)-8-propan-2-yloxy-2-azaspiro[4.5]decan-1-one
CID 134556753

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropylphenyl)-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylic acid?
The IUPAC name of 2-(4-cyclopropylphenyl)-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylic acid (CID 123809634) is 2-(4-cyclopropylphenyl)-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylic acid.
What is the SMILES notation for 2-(4-cyclopropylphenyl)-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylic acid?
The canonical SMILES for 2-(4-cyclopropylphenyl)-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylic acid is O=C(O)N1CCC2(CC1)CCN(c1ccc(C3CC3)cc1)C2=O.
What is the InChIKey of 2-(4-cyclopropylphenyl)-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylic acid?
The InChIKey is BFHMHJNNWRKDGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c21-16-18(7-10-19(11-8-18)17(22)23)9-12-20(16)15-5-3-14(4-6-15)13-1-2-13/h3-6,13H,1-2,7-12H2,(H,22,23).
What are the key properties of 2-(4-cyclopropylphenyl)-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylic acid?
2-(4-cyclopropylphenyl)-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylic acid has a molecular weight of 314.38 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropylphenyl)-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylic acid is sourced from PubChem (CID 123809634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).