4-(3-chloro-2-methylphenyl)-4-hydroxy-N-(1H-indazol-3-yl)piperidine-1-carboxamide

C20H21ClN4O2 — CID 58926861

IUPAC4-(3-chloro-2-methylphenyl)-4-hydroxy-N-(1H-indazol-3-yl)piperidine-1-carboxamide
SMILESCc1c(Cl)cccc1C1(O)CCN(C(=O)Nc2n[nH]c3ccccc23)CC1
InChIInChI=1S/C20H21ClN4O2/c1-13-15(6-4-7-16(13)21)20(27)9-11-25(12-10-20)19(26)22-18-14-5-2-3-8-17(14)23-24-18/h2-8,27H,9-12H2,1H3,(H2,22,23,24,26)
InChIKeyIXPXURKLVGAIGJ-UHFFFAOYSA-N
MW384.87 g/mol
LogP4.04
Rot. Bonds2

About 4-(3-chloro-2-methylphenyl)-4-hydroxy-N-(1H-indazol-3-yl)piperidine-1-carboxamide

4-(3-chloro-2-methylphenyl)-4-hydroxy-N-(1H-indazol-3-yl)piperidine-1-carboxamide (PubChem CID 58926861) has the molecular formula C20H21ClN4O2 and a molecular weight of 384.87 g/mol. Its IUPAC name is 4-(3-chloro-2-methylphenyl)-4-hydroxy-N-(1H-indazol-3-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(3-chloro-2-methylphenyl)-4-hydroxy-N-(1H-indazol-3-yl)piperidine-1-carboxamide
PubChem CID58926861
Molecular FormulaC20H21ClN4O2
Molecular Weight384.87 g/mol
Exact Mass384.14
IUPAC Name4-(3-chloro-2-methylphenyl)-4-hydroxy-N-(1H-indazol-3-yl)piperidine-1-carboxamide
SMILESCc1c(Cl)cccc1C1(O)CCN(C(=O)Nc2n[nH]c3ccccc23)CC1
InChIInChI=1S/C20H21ClN4O2/c1-13-15(6-4-7-16(13)21)20(27)9-11-25(12-10-20)19(26)22-18-14-5-2-3-8-17(14)23-24-18/h2-8,27H,9-12H2,1H3,(H2,22,23,24,26)
InChIKeyIXPXURKLVGAIGJ-UHFFFAOYSA-N
XLogP4.04
TPSA81.25 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.87
LogP ≤ 54.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,5-dichlorophenyl)-4-hydroxy-N-(1H-indazol-3-yl)piperidine-1-carboxamide
CID 11338671
4-(3,4-dichlorophenyl)-4-hydroxy-N-(1H-indazol-3-yl)piperidine-1-carboxamide
CID 11774091
4-hydroxy-N-(1H-indazol-3-yl)-4-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 11441481
4-hydroxy-N-(1H-indazol-3-yl)-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 11177159
3-(4-fluorophenyl)-3-hydroxy-N-(1H-indazol-3-yl)pyrrolidine-1-carboxamide
CID 58926880
4-[3-fluoro-5-(trifluoromethyl)phenyl]-4-hydroxy-N-(1H-indazol-3-yl)piperidine-1-carboxamide
CID 11281628
5-chloro-N-(1H-indazol-3-yl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide
CID 11485368
4-(3-chloro-2-methylphenyl)-1-methylpiperidin-4-ol
CID 83824769
[4-hydroxy-4-(3-methylphenyl)piperidin-1-yl] N-(1H-indazol-3-yl)carbamate
CID 118555436
4-(3-chloro-4-fluorophenyl)-N-(1H-indazol-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 11337695
N-[6-(4-methylphenyl)-1H-indazol-3-yl]piperidine-1-carboxamide
CID 69064183
N-[6-(4-methylphenyl)-1H-indazol-3-yl]piperazine-1-carboxamide
CID 69063807

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-2-methylphenyl)-4-hydroxy-N-(1H-indazol-3-yl)piperidine-1-carboxamide?
The IUPAC name of 4-(3-chloro-2-methylphenyl)-4-hydroxy-N-(1H-indazol-3-yl)piperidine-1-carboxamide (CID 58926861) is 4-(3-chloro-2-methylphenyl)-4-hydroxy-N-(1H-indazol-3-yl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(3-chloro-2-methylphenyl)-4-hydroxy-N-(1H-indazol-3-yl)piperidine-1-carboxamide?
The canonical SMILES for 4-(3-chloro-2-methylphenyl)-4-hydroxy-N-(1H-indazol-3-yl)piperidine-1-carboxamide is Cc1c(Cl)cccc1C1(O)CCN(C(=O)Nc2n[nH]c3ccccc23)CC1.
What is the InChIKey of 4-(3-chloro-2-methylphenyl)-4-hydroxy-N-(1H-indazol-3-yl)piperidine-1-carboxamide?
The InChIKey is IXPXURKLVGAIGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O2/c1-13-15(6-4-7-16(13)21)20(27)9-11-25(12-10-20)19(26)22-18-14-5-2-3-8-17(14)23-24-18/h2-8,27H,9-12H2,1H3,(H2,22,23,24,26).
What are the key properties of 4-(3-chloro-2-methylphenyl)-4-hydroxy-N-(1H-indazol-3-yl)piperidine-1-carboxamide?
4-(3-chloro-2-methylphenyl)-4-hydroxy-N-(1H-indazol-3-yl)piperidine-1-carboxamide has a molecular weight of 384.87 g/mol, XLogP of 4.04, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-2-methylphenyl)-4-hydroxy-N-(1H-indazol-3-yl)piperidine-1-carboxamide is sourced from PubChem (CID 58926861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).