3,3-dimethyl-4-(1-methylindazole-3-carbonyl)piperazin-2-one

C15H18N4O2 — CID 103120471

IUPAC3,3-dimethyl-4-(1-methylindazole-3-carbonyl)piperazin-2-one
SMILESCn1nc(C(=O)N2CCNC(=O)C2(C)C)c2ccccc21
InChIInChI=1S/C15H18N4O2/c1-15(2)14(21)16-8-9-19(15)13(20)12-10-6-4-5-7-11(10)18(3)17-12/h4-7H,8-9H2,1-3H3,(H,16,21)
InChIKeyOYYZJJRSUHMONP-UHFFFAOYSA-N
MW286.33 g/mol
LogP0.92
Rot. Bonds1

About 3,3-dimethyl-4-(1-methylindazole-3-carbonyl)piperazin-2-one

3,3-dimethyl-4-(1-methylindazole-3-carbonyl)piperazin-2-one (PubChem CID 103120471) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 3,3-dimethyl-4-(1-methylindazole-3-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name3,3-dimethyl-4-(1-methylindazole-3-carbonyl)piperazin-2-one
PubChem CID103120471
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name3,3-dimethyl-4-(1-methylindazole-3-carbonyl)piperazin-2-one
SMILESCn1nc(C(=O)N2CCNC(=O)C2(C)C)c2ccccc21
InChIInChI=1S/C15H18N4O2/c1-15(2)14(21)16-8-9-19(15)13(20)12-10-6-4-5-7-11(10)18(3)17-12/h4-7H,8-9H2,1-3H3,(H,16,21)
InChIKeyOYYZJJRSUHMONP-UHFFFAOYSA-N
XLogP0.92
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1-methylindazol-3-yl)-pyrrolidin-1-ylmethanone
CID 110848618
7,7-difluoro-9-(1-methylindazole-3-carbonyl)-2,9-diazaspiro[4.5]decan-1-one
CID 131695166
3,3-dimethyl-4-[2-(trifluoromethyl)benzoyl]piperazin-2-one
CID 63607589
3,3-dimethyl-4-(pyridine-3-carbonyl)piperazin-2-one
CID 63362105
3,3-dimethyl-4-(1H-pyrrole-2-carbonyl)piperazin-2-one
CID 63606368
4-(3-cyclopropylquinoline-2-carbonyl)-3,3-dimethylpiperazin-2-one
CID 136570573
4-(4-benzylbenzoyl)-3,3-dimethylpiperazin-2-one
CID 16863809
(4-bromopiperidin-1-yl)-(1-methylindazol-3-yl)methanone
CID 103122439
4-(4-amino-1,2,5-oxadiazole-3-carbonyl)-3,3-dimethylpiperazin-2-one
CID 55216513
(2,6-dimethylpiperazin-1-yl)-(1-methylindazol-3-yl)methanone
CID 103120779
3,3-dimethyl-4-(2-phenylacetyl)piperazin-2-one
CID 16863839
4-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)benzenecarbothioamide
CID 63606089

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-4-(1-methylindazole-3-carbonyl)piperazin-2-one?
The IUPAC name of 3,3-dimethyl-4-(1-methylindazole-3-carbonyl)piperazin-2-one (CID 103120471) is 3,3-dimethyl-4-(1-methylindazole-3-carbonyl)piperazin-2-one.
What is the SMILES notation for 3,3-dimethyl-4-(1-methylindazole-3-carbonyl)piperazin-2-one?
The canonical SMILES for 3,3-dimethyl-4-(1-methylindazole-3-carbonyl)piperazin-2-one is Cn1nc(C(=O)N2CCNC(=O)C2(C)C)c2ccccc21.
What is the InChIKey of 3,3-dimethyl-4-(1-methylindazole-3-carbonyl)piperazin-2-one?
The InChIKey is OYYZJJRSUHMONP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-15(2)14(21)16-8-9-19(15)13(20)12-10-6-4-5-7-11(10)18(3)17-12/h4-7H,8-9H2,1-3H3,(H,16,21).
What are the key properties of 3,3-dimethyl-4-(1-methylindazole-3-carbonyl)piperazin-2-one?
3,3-dimethyl-4-(1-methylindazole-3-carbonyl)piperazin-2-one has a molecular weight of 286.33 g/mol, XLogP of 0.92, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4-(1-methylindazole-3-carbonyl)piperazin-2-one is sourced from PubChem (CID 103120471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).