[4-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]-(4-methylpiperidin-1-yl)methanone

C22H23N3O — CID 67089867

IUPAC[4-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2ccc(/C=C/c3n[nH]c4ccccc34)cc2)CC1
InChIInChI=1S/C22H23N3O/c1-16-12-14-25(15-13-16)22(26)18-9-6-17(7-10-18)8-11-21-19-4-2-3-5-20(19)23-24-21/h2-11,16H,12-15H2,1H3,(H,23,24)/b11-8+
InChIKeyJFPDDOZSROYJOX-DHZHZOJOSA-N
MW345.45 g/mol
LogP4.61
Rot. Bonds3

About [4-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]-(4-methylpiperidin-1-yl)methanone

[4-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 67089867) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is [4-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[4-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]-(4-methylpiperidin-1-yl)methanone
PubChem CID67089867
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC Name[4-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2ccc(/C=C/c3n[nH]c4ccccc34)cc2)CC1
InChIInChI=1S/C22H23N3O/c1-16-12-14-25(15-13-16)22(26)18-9-6-17(7-10-18)8-11-21-19-4-2-3-5-20(19)23-24-21/h2-11,16H,12-15H2,1H3,(H,23,24)/b11-8+
InChIKeyJFPDDOZSROYJOX-DHZHZOJOSA-N
XLogP4.61
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[(E)-2-(1H-indazol-3-yl)ethenyl]benzoyl]-N-methylpiperidine-4-carboxamide
CID 67089780
3-[1-[4-[(E)-2-(1H-indazol-3-yl)ethenyl]benzoyl]piperidin-4-yl]-1,1-dimethylurea
CID 67090064
N,N-diethyl-1-[4-[(E)-2-(1H-indazol-3-yl)ethenyl]benzoyl]piperidine-4-carboxamide
CID 67090044
[4-[2-(1H-indazol-3-yl)ethenyl]phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 67089837
2-hydroxy-1-[4-[4-[(E)-2-(1H-indazol-3-yl)ethenyl]benzoyl]piperazin-1-yl]ethanone
CID 67089995
3-amino-1-[4-[4-[(E)-2-(1H-indazol-3-yl)ethenyl]benzoyl]piperazin-1-yl]propan-1-one
CID 67090021
tert-butyl 4-[4-[(E)-2-(1H-indazol-3-yl)ethenyl]benzoyl]-1,4-diazepane-1-carboxylate
CID 67090112
1-[4-[4-[2-(1H-indazol-3-yl)ethenyl]benzoyl]piperazin-1-yl]-2-(2-methoxyethoxy)ethanone
CID 67090706
4-[(E)-2-(1H-indazol-3-yl)ethenyl]benzoic acid
CID 11437002
tert-butyl N-[4-[4-[(E)-2-(1H-indazol-3-yl)ethenyl]benzoyl]piperazin-1-yl]carbamate
CID 67089983
2-[4-[4-[(E)-2-(1H-indazol-3-yl)ethenyl]benzoyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 67090329
3-hydroxy-1-[(2S)-4-[4-[2-(1H-indazol-3-yl)ethenyl]benzoyl]-2-methylpiperazin-1-yl]-3-methylbutan-1-one
CID 67089750

Frequently Asked Questions

What is the IUPAC name of [4-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [4-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]-(4-methylpiperidin-1-yl)methanone (CID 67089867) is [4-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [4-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [4-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]-(4-methylpiperidin-1-yl)methanone is CC1CCN(C(=O)c2ccc(/C=C/c3n[nH]c4ccccc34)cc2)CC1.
What is the InChIKey of [4-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is JFPDDOZSROYJOX-DHZHZOJOSA-N. The full InChI is InChI=1S/C22H23N3O/c1-16-12-14-25(15-13-16)22(26)18-9-6-17(7-10-18)8-11-21-19-4-2-3-5-20(19)23-24-21/h2-11,16H,12-15H2,1H3,(H,23,24)/b11-8+.
What are the key properties of [4-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]-(4-methylpiperidin-1-yl)methanone?
[4-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 345.45 g/mol, XLogP of 4.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 67089867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).