2-(4-chlorophenyl)-3-(cyclopropylmethyl)-1,3-diazaspiro[4.4]nonan-4-one

C17H21ClN2O — CID 79827705

IUPAC2-(4-chlorophenyl)-3-(cyclopropylmethyl)-1,3-diazaspiro[4.4]nonan-4-one
SMILESO=C1N(CC2CC2)C(c2ccc(Cl)cc2)NC12CCCC2
InChIInChI=1S/C17H21ClN2O/c18-14-7-5-13(6-8-14)15-19-17(9-1-2-10-17)16(21)20(15)11-12-3-4-12/h5-8,12,15,19H,1-4,9-11H2
InChIKeyPUPBZXJAFMWICA-UHFFFAOYSA-N
MW304.82 g/mol
LogP3.49
Rot. Bonds3

About 2-(4-chlorophenyl)-3-(cyclopropylmethyl)-1,3-diazaspiro[4.4]nonan-4-one

2-(4-chlorophenyl)-3-(cyclopropylmethyl)-1,3-diazaspiro[4.4]nonan-4-one (PubChem CID 79827705) has the molecular formula C17H21ClN2O and a molecular weight of 304.82 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-(cyclopropylmethyl)-1,3-diazaspiro[4.4]nonan-4-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-(cyclopropylmethyl)-1,3-diazaspiro[4.4]nonan-4-one
PubChem CID79827705
Molecular FormulaC17H21ClN2O
Molecular Weight304.82 g/mol
Exact Mass304.13
IUPAC Name2-(4-chlorophenyl)-3-(cyclopropylmethyl)-1,3-diazaspiro[4.4]nonan-4-one
SMILESO=C1N(CC2CC2)C(c2ccc(Cl)cc2)NC12CCCC2
InChIInChI=1S/C17H21ClN2O/c18-14-7-5-13(6-8-14)15-19-17(9-1-2-10-17)16(21)20(15)11-12-3-4-12/h5-8,12,15,19H,1-4,9-11H2
InChIKeyPUPBZXJAFMWICA-UHFFFAOYSA-N
XLogP3.49
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.82
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(cyclopropylmethyl)-5-(4-propan-2-ylphenyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83247504
5-[(2R)-3-(cyclopropylmethyl)-4-oxo-1,3-diazaspiro[4.4]nonan-2-yl]furan-2-carbonitrile
CID 97221701
3-(cyclopropylmethyl)-2-(5-methyl-1H-imidazol-4-yl)-1,3-diazaspiro[4.4]nonan-4-one
CID 71977107
(2S)-3-(cyclopropylmethyl)-2-[5-(methoxymethyl)furan-2-yl]-1,3-diazaspiro[4.4]nonan-4-one
CID 97228894
5-(4-chlorophenyl)-6-[2-(dimethylamino)propyl]-4,6-diazaspiro[2.4]heptan-7-one
CID 83252277
2-(4-chlorophenyl)-3-(cyclopentylmethyl)imidazolidin-4-one
CID 83243667
5-(4-chlorophenyl)-6-[2-[ethyl(methyl)amino]ethyl]-4,6-diazaspiro[2.4]heptan-7-one
CID 83253608
2-(4-chlorophenyl)-3-(cyclopentylmethyl)-5-methylimidazolidin-4-one
CID 83244083
6-(2-cyclopropylethyl)-5-(4-methylphenyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83268444
3-(cyclopropylmethyl)-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-diazaspiro[4.4]nonan-4-one
CID 75376872
2-(4-chlorophenyl)-3-(cyclopropylmethyl)-5-ethylimidazolidin-4-one
CID 83251669
2-(4-chlorophenyl)-3-(cyclobutylmethyl)-5-propan-2-ylimidazolidin-4-one
CID 83247048

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-3-(cyclopropylmethyl)-1,3-diazaspiro[4.4]nonan-4-one?
The IUPAC name of 2-(4-chlorophenyl)-3-(cyclopropylmethyl)-1,3-diazaspiro[4.4]nonan-4-one (CID 79827705) is 2-(4-chlorophenyl)-3-(cyclopropylmethyl)-1,3-diazaspiro[4.4]nonan-4-one.
What is the SMILES notation for 2-(4-chlorophenyl)-3-(cyclopropylmethyl)-1,3-diazaspiro[4.4]nonan-4-one?
The canonical SMILES for 2-(4-chlorophenyl)-3-(cyclopropylmethyl)-1,3-diazaspiro[4.4]nonan-4-one is O=C1N(CC2CC2)C(c2ccc(Cl)cc2)NC12CCCC2.
What is the InChIKey of 2-(4-chlorophenyl)-3-(cyclopropylmethyl)-1,3-diazaspiro[4.4]nonan-4-one?
The InChIKey is PUPBZXJAFMWICA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O/c18-14-7-5-13(6-8-14)15-19-17(9-1-2-10-17)16(21)20(15)11-12-3-4-12/h5-8,12,15,19H,1-4,9-11H2.
What are the key properties of 2-(4-chlorophenyl)-3-(cyclopropylmethyl)-1,3-diazaspiro[4.4]nonan-4-one?
2-(4-chlorophenyl)-3-(cyclopropylmethyl)-1,3-diazaspiro[4.4]nonan-4-one has a molecular weight of 304.82 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3-(cyclopropylmethyl)-1,3-diazaspiro[4.4]nonan-4-one is sourced from PubChem (CID 79827705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).