[1-(1H-indazole-5-carbonyl)piperidin-3-yl]-(2-methylpiperazin-1-yl)methanone

C19H25N5O2 — CID 167885425

IUPAC[1-(1H-indazole-5-carbonyl)piperidin-3-yl]-(2-methylpiperazin-1-yl)methanone
SMILESCC1CNCCN1C(=O)C1CCCN(C(=O)c2ccc3[nH]ncc3c2)C1
InChIInChI=1S/C19H25N5O2/c1-13-10-20-6-8-24(13)19(26)15-3-2-7-23(12-15)18(25)14-4-5-17-16(9-14)11-21-22-17/h4-5,9,11,13,15,20H,2-3,6-8,10,12H2,1H3,(H,21,22)
InChIKeyVDMKZCPCAICDHV-UHFFFAOYSA-N
MW355.44 g/mol
LogP1.24
Rot. Bonds2

About [1-(1H-indazole-5-carbonyl)piperidin-3-yl]-(2-methylpiperazin-1-yl)methanone

[1-(1H-indazole-5-carbonyl)piperidin-3-yl]-(2-methylpiperazin-1-yl)methanone (PubChem CID 167885425) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is [1-(1H-indazole-5-carbonyl)piperidin-3-yl]-(2-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[1-(1H-indazole-5-carbonyl)piperidin-3-yl]-(2-methylpiperazin-1-yl)methanone
PubChem CID167885425
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name[1-(1H-indazole-5-carbonyl)piperidin-3-yl]-(2-methylpiperazin-1-yl)methanone
SMILESCC1CNCCN1C(=O)C1CCCN(C(=O)c2ccc3[nH]ncc3c2)C1
InChIInChI=1S/C19H25N5O2/c1-13-10-20-6-8-24(13)19(26)15-3-2-7-23(12-15)18(25)14-4-5-17-16(9-14)11-21-22-17/h4-5,9,11,13,15,20H,2-3,6-8,10,12H2,1H3,(H,21,22)
InChIKeyVDMKZCPCAICDHV-UHFFFAOYSA-N
XLogP1.24
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2-methylpiperazin-1-yl)-[1-(pyridine-4-carbonyl)piperidin-3-yl]methanone;dihydrochloride
CID 119470241
(3-hydroxypiperidin-1-yl)-(1H-indazol-5-yl)methanone
CID 43502692
[(3S)-3-hydroxypiperidin-1-yl]-(1H-indazol-5-yl)methanone
CID 93084212
1H-indazol-5-yl-(2-methylpiperidin-1-yl)methanone
CID 110485432
cyclopropyl-[3-(2-methylpiperazine-1-carbonyl)piperidin-1-yl]methanone
CID 119472927
(5,7-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)-[1-(1H-indazole-5-carbonyl)piperidin-3-yl]methanone
CID 154840100
(3-hydroxypyrrolidin-1-yl)-(1H-indazol-5-yl)methanone
CID 62916238
[1-(1H-indazole-5-carbonyl)piperidin-3-yl]-spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-ylmethanone
CID 154839752
[(3R,5S)-3,5-dimethylpiperazin-1-yl]-(1H-indazol-5-yl)methanone
CID 124589837
[1-(1H-indazole-5-carbonyl)piperidin-3-yl]-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 154833498
1H-indazol-6-yl-(2-methylpyrrolidin-1-yl)methanone
CID 62906843
(1-benzoylpiperidin-4-yl)-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119472389

Frequently Asked Questions

What is the IUPAC name of [1-(1H-indazole-5-carbonyl)piperidin-3-yl]-(2-methylpiperazin-1-yl)methanone?
The IUPAC name of [1-(1H-indazole-5-carbonyl)piperidin-3-yl]-(2-methylpiperazin-1-yl)methanone (CID 167885425) is [1-(1H-indazole-5-carbonyl)piperidin-3-yl]-(2-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [1-(1H-indazole-5-carbonyl)piperidin-3-yl]-(2-methylpiperazin-1-yl)methanone?
The canonical SMILES for [1-(1H-indazole-5-carbonyl)piperidin-3-yl]-(2-methylpiperazin-1-yl)methanone is CC1CNCCN1C(=O)C1CCCN(C(=O)c2ccc3[nH]ncc3c2)C1.
What is the InChIKey of [1-(1H-indazole-5-carbonyl)piperidin-3-yl]-(2-methylpiperazin-1-yl)methanone?
The InChIKey is VDMKZCPCAICDHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-13-10-20-6-8-24(13)19(26)15-3-2-7-23(12-15)18(25)14-4-5-17-16(9-14)11-21-22-17/h4-5,9,11,13,15,20H,2-3,6-8,10,12H2,1H3,(H,21,22).
What are the key properties of [1-(1H-indazole-5-carbonyl)piperidin-3-yl]-(2-methylpiperazin-1-yl)methanone?
[1-(1H-indazole-5-carbonyl)piperidin-3-yl]-(2-methylpiperazin-1-yl)methanone has a molecular weight of 355.44 g/mol, XLogP of 1.24, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1H-indazole-5-carbonyl)piperidin-3-yl]-(2-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 167885425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).