6-(2-cyclopropylethyl)-5-(4-methylphenyl)-4,6-diazaspiro[2.4]heptan-7-one

C17H22N2O — CID 83268444

IUPAC6-(2-cyclopropylethyl)-5-(4-methylphenyl)-4,6-diazaspiro[2.4]heptan-7-one
SMILESCc1ccc(C2NC3(CC3)C(=O)N2CCC2CC2)cc1
InChIInChI=1S/C17H22N2O/c1-12-2-6-14(7-3-12)15-18-17(9-10-17)16(20)19(15)11-8-13-4-5-13/h2-3,6-7,13,15,18H,4-5,8-11H2,1H3
InChIKeyMQIPLAKAKDZXSW-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.76
Rot. Bonds4

About 6-(2-cyclopropylethyl)-5-(4-methylphenyl)-4,6-diazaspiro[2.4]heptan-7-one

6-(2-cyclopropylethyl)-5-(4-methylphenyl)-4,6-diazaspiro[2.4]heptan-7-one (PubChem CID 83268444) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 6-(2-cyclopropylethyl)-5-(4-methylphenyl)-4,6-diazaspiro[2.4]heptan-7-one.

Molecular Properties

Compound Name6-(2-cyclopropylethyl)-5-(4-methylphenyl)-4,6-diazaspiro[2.4]heptan-7-one
PubChem CID83268444
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name6-(2-cyclopropylethyl)-5-(4-methylphenyl)-4,6-diazaspiro[2.4]heptan-7-one
SMILESCc1ccc(C2NC3(CC3)C(=O)N2CCC2CC2)cc1
InChIInChI=1S/C17H22N2O/c1-12-2-6-14(7-3-12)15-18-17(9-10-17)16(20)19(15)11-8-13-4-5-13/h2-3,6-7,13,15,18H,4-5,8-11H2,1H3
InChIKeyMQIPLAKAKDZXSW-UHFFFAOYSA-N
XLogP2.76
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(2-cyclopropylethyl)-5-(2-methylphenyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83268642
5-(4-tert-butylphenyl)-6-propyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83246689
6-(cyclopropylmethyl)-5-(4-propan-2-ylphenyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83247504
5-phenyl-6-propyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83242074
5-(4-fluorophenyl)-6-(2-methoxyethyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83243144
5-(4-propan-2-ylphenyl)-6-propyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83241982
6-ethyl-5-phenyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83239062
2-(4-chlorophenyl)-3-(cyclopropylmethyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 79827705
6-[(1-methylpyrrolidin-3-yl)methyl]-5-phenyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83245738
5-(4-chlorophenyl)-6-[2-[ethyl(methyl)amino]ethyl]-4,6-diazaspiro[2.4]heptan-7-one
CID 83253608
5-(3,4-difluorophenyl)-6-propyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83242438
6-(2,2-difluoroethyl)-5-(4-fluorophenyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83271058

Frequently Asked Questions

What is the IUPAC name of 6-(2-cyclopropylethyl)-5-(4-methylphenyl)-4,6-diazaspiro[2.4]heptan-7-one?
The IUPAC name of 6-(2-cyclopropylethyl)-5-(4-methylphenyl)-4,6-diazaspiro[2.4]heptan-7-one (CID 83268444) is 6-(2-cyclopropylethyl)-5-(4-methylphenyl)-4,6-diazaspiro[2.4]heptan-7-one.
What is the SMILES notation for 6-(2-cyclopropylethyl)-5-(4-methylphenyl)-4,6-diazaspiro[2.4]heptan-7-one?
The canonical SMILES for 6-(2-cyclopropylethyl)-5-(4-methylphenyl)-4,6-diazaspiro[2.4]heptan-7-one is Cc1ccc(C2NC3(CC3)C(=O)N2CCC2CC2)cc1.
What is the InChIKey of 6-(2-cyclopropylethyl)-5-(4-methylphenyl)-4,6-diazaspiro[2.4]heptan-7-one?
The InChIKey is MQIPLAKAKDZXSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-12-2-6-14(7-3-12)15-18-17(9-10-17)16(20)19(15)11-8-13-4-5-13/h2-3,6-7,13,15,18H,4-5,8-11H2,1H3.
What are the key properties of 6-(2-cyclopropylethyl)-5-(4-methylphenyl)-4,6-diazaspiro[2.4]heptan-7-one?
6-(2-cyclopropylethyl)-5-(4-methylphenyl)-4,6-diazaspiro[2.4]heptan-7-one has a molecular weight of 270.38 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-cyclopropylethyl)-5-(4-methylphenyl)-4,6-diazaspiro[2.4]heptan-7-one is sourced from PubChem (CID 83268444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).