3-[1-[4-[(E)-2-(1H-indazol-3-yl)ethenyl]benzoyl]piperidin-4-yl]-1,1-dimethylurea

C24H27N5O2 — CID 67090064

IUPAC3-[1-[4-[(E)-2-(1H-indazol-3-yl)ethenyl]benzoyl]piperidin-4-yl]-1,1-dimethylurea
SMILESCN(C)C(=O)NC1CCN(C(=O)c2ccc(/C=C/c3n[nH]c4ccccc34)cc2)CC1
InChIInChI=1S/C24H27N5O2/c1-28(2)24(31)25-19-13-15-29(16-14-19)23(30)18-10-7-17(8-11-18)9-12-22-20-5-3-4-6-21(20)26-27-22/h3-12,19H,13-16H2,1-2H3,(H,25,31)(H,26,27)/b12-9+
InChIKeyWNJKRVUURIVYKT-FMIVXFBMSA-N
MW417.51 g/mol
LogP3.61
Rot. Bonds4

About 3-[1-[4-[(E)-2-(1H-indazol-3-yl)ethenyl]benzoyl]piperidin-4-yl]-1,1-dimethylurea

3-[1-[4-[(E)-2-(1H-indazol-3-yl)ethenyl]benzoyl]piperidin-4-yl]-1,1-dimethylurea (PubChem CID 67090064) has the molecular formula C24H27N5O2 and a molecular weight of 417.51 g/mol. Its IUPAC name is 3-[1-[4-[(E)-2-(1H-indazol-3-yl)ethenyl]benzoyl]piperidin-4-yl]-1,1-dimethylurea.

Molecular Properties

Compound Name3-[1-[4-[(E)-2-(1H-indazol-3-yl)ethenyl]benzoyl]piperidin-4-yl]-1,1-dimethylurea
PubChem CID67090064
Molecular FormulaC24H27N5O2
Molecular Weight417.51 g/mol
Exact Mass417.22
IUPAC Name3-[1-[4-[(E)-2-(1H-indazol-3-yl)ethenyl]benzoyl]piperidin-4-yl]-1,1-dimethylurea
SMILESCN(C)C(=O)NC1CCN(C(=O)c2ccc(/C=C/c3n[nH]c4ccccc34)cc2)CC1
InChIInChI=1S/C24H27N5O2/c1-28(2)24(31)25-19-13-15-29(16-14-19)23(30)18-10-7-17(8-11-18)9-12-22-20-5-3-4-6-21(20)26-27-22/h3-12,19H,13-16H2,1-2H3,(H,25,31)(H,26,27)/b12-9+
InChIKeyWNJKRVUURIVYKT-FMIVXFBMSA-N
XLogP3.61
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[1-[4-[(E)-2-(1H-indazol-3-yl)ethenyl]benzoyl]piperidin-4-yl]-1,1-dimethylurea with MolForge

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Related Compounds

[4-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]-(4-methylpiperidin-1-yl)methanone
CID 67089867
1-[4-[(E)-2-(1H-indazol-3-yl)ethenyl]benzoyl]-N-methylpiperidine-4-carboxamide
CID 67089780
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
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
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
3-hydroxy-1-[(2S)-4-[4-[2-(1H-indazol-3-yl)ethenyl]benzoyl]-2-methylpiperazin-1-yl]-3-methylbutan-1-one
CID 67089750
N-[5-(4-acetamidopiperidine-1-carbonyl)-2-[2-(1H-indazol-3-yl)ethenyl]phenyl]-3-methylthiophene-2-carboxamide
CID 68997012

Frequently Asked Questions

What is the IUPAC name of 3-[1-[4-[(E)-2-(1H-indazol-3-yl)ethenyl]benzoyl]piperidin-4-yl]-1,1-dimethylurea?
The IUPAC name of 3-[1-[4-[(E)-2-(1H-indazol-3-yl)ethenyl]benzoyl]piperidin-4-yl]-1,1-dimethylurea (CID 67090064) is 3-[1-[4-[(E)-2-(1H-indazol-3-yl)ethenyl]benzoyl]piperidin-4-yl]-1,1-dimethylurea.
What is the SMILES notation for 3-[1-[4-[(E)-2-(1H-indazol-3-yl)ethenyl]benzoyl]piperidin-4-yl]-1,1-dimethylurea?
The canonical SMILES for 3-[1-[4-[(E)-2-(1H-indazol-3-yl)ethenyl]benzoyl]piperidin-4-yl]-1,1-dimethylurea is CN(C)C(=O)NC1CCN(C(=O)c2ccc(/C=C/c3n[nH]c4ccccc34)cc2)CC1.
What is the InChIKey of 3-[1-[4-[(E)-2-(1H-indazol-3-yl)ethenyl]benzoyl]piperidin-4-yl]-1,1-dimethylurea?
The InChIKey is WNJKRVUURIVYKT-FMIVXFBMSA-N. The full InChI is InChI=1S/C24H27N5O2/c1-28(2)24(31)25-19-13-15-29(16-14-19)23(30)18-10-7-17(8-11-18)9-12-22-20-5-3-4-6-21(20)26-27-22/h3-12,19H,13-16H2,1-2H3,(H,25,31)(H,26,27)/b12-9+.
What are the key properties of 3-[1-[4-[(E)-2-(1H-indazol-3-yl)ethenyl]benzoyl]piperidin-4-yl]-1,1-dimethylurea?
3-[1-[4-[(E)-2-(1H-indazol-3-yl)ethenyl]benzoyl]piperidin-4-yl]-1,1-dimethylurea has a molecular weight of 417.51 g/mol, XLogP of 3.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[4-[(E)-2-(1H-indazol-3-yl)ethenyl]benzoyl]piperidin-4-yl]-1,1-dimethylurea is sourced from PubChem (CID 67090064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).