[(3R,5S)-3,5-dimethylpiperazin-1-yl]-(1H-indazol-5-yl)methanone

C14H18N4O — CID 124589837

IUPAC[(3R,5S)-3,5-dimethylpiperazin-1-yl]-(1H-indazol-5-yl)methanone
SMILESC[C@@H]1CN(C(=O)c2ccc3[nH]ncc3c2)C[C@H](C)N1
InChIInChI=1S/C14H18N4O/c1-9-7-18(8-10(2)16-9)14(19)11-3-4-13-12(5-11)6-15-17-13/h3-6,9-10,16H,7-8H2,1-2H3,(H,15,17)/t9-,10+
InChIKeyNOZTZUUYSJNZTM-AOOOYVTPSA-N
MW258.32 g/mol
LogP1.39
Rot. Bonds1

About [(3R,5S)-3,5-dimethylpiperazin-1-yl]-(1H-indazol-5-yl)methanone

[(3R,5S)-3,5-dimethylpiperazin-1-yl]-(1H-indazol-5-yl)methanone (PubChem CID 124589837) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is [(3R,5S)-3,5-dimethylpiperazin-1-yl]-(1H-indazol-5-yl)methanone.

Molecular Properties

Compound Name[(3R,5S)-3,5-dimethylpiperazin-1-yl]-(1H-indazol-5-yl)methanone
PubChem CID124589837
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name[(3R,5S)-3,5-dimethylpiperazin-1-yl]-(1H-indazol-5-yl)methanone
SMILESC[C@@H]1CN(C(=O)c2ccc3[nH]ncc3c2)C[C@H](C)N1
InChIInChI=1S/C14H18N4O/c1-9-7-18(8-10(2)16-9)14(19)11-3-4-13-12(5-11)6-15-17-13/h3-6,9-10,16H,7-8H2,1-2H3,(H,15,17)/t9-,10+
InChIKeyNOZTZUUYSJNZTM-AOOOYVTPSA-N
XLogP1.39
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(3R,5S)-3,5-dimethylpiperazin-1-yl]-(1H-indazol-5-yl)methanone?
The IUPAC name of [(3R,5S)-3,5-dimethylpiperazin-1-yl]-(1H-indazol-5-yl)methanone (CID 124589837) is [(3R,5S)-3,5-dimethylpiperazin-1-yl]-(1H-indazol-5-yl)methanone.
What is the SMILES notation for [(3R,5S)-3,5-dimethylpiperazin-1-yl]-(1H-indazol-5-yl)methanone?
The canonical SMILES for [(3R,5S)-3,5-dimethylpiperazin-1-yl]-(1H-indazol-5-yl)methanone is C[C@@H]1CN(C(=O)c2ccc3[nH]ncc3c2)C[C@H](C)N1.
What is the InChIKey of [(3R,5S)-3,5-dimethylpiperazin-1-yl]-(1H-indazol-5-yl)methanone?
The InChIKey is NOZTZUUYSJNZTM-AOOOYVTPSA-N. The full InChI is InChI=1S/C14H18N4O/c1-9-7-18(8-10(2)16-9)14(19)11-3-4-13-12(5-11)6-15-17-13/h3-6,9-10,16H,7-8H2,1-2H3,(H,15,17)/t9-,10+.
What are the key properties of [(3R,5S)-3,5-dimethylpiperazin-1-yl]-(1H-indazol-5-yl)methanone?
[(3R,5S)-3,5-dimethylpiperazin-1-yl]-(1H-indazol-5-yl)methanone has a molecular weight of 258.32 g/mol, XLogP of 1.39, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,5S)-3,5-dimethylpiperazin-1-yl]-(1H-indazol-5-yl)methanone is sourced from PubChem (CID 124589837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).