[4-hydroxy-4-(3-methylphenyl)piperidin-1-yl] N-(1H-indazol-3-yl)carbamate

C20H22N4O3 — CID 118555436

IUPAC[4-hydroxy-4-(3-methylphenyl)piperidin-1-yl] N-(1H-indazol-3-yl)carbamate
SMILESCc1cccc(C2(O)CCN(OC(=O)Nc3n[nH]c4ccccc34)CC2)c1
InChIInChI=1S/C20H22N4O3/c1-14-5-4-6-15(13-14)20(26)9-11-24(12-10-20)27-19(25)21-18-16-7-2-3-8-17(16)22-23-18/h2-8,13,26H,9-12H2,1H3,(H2,21,22,23,25)
InChIKeyQAHBUZPZUBFJIL-UHFFFAOYSA-N
MW366.42 g/mol
LogP3.32
Rot. Bonds3

About [4-hydroxy-4-(3-methylphenyl)piperidin-1-yl] N-(1H-indazol-3-yl)carbamate

[4-hydroxy-4-(3-methylphenyl)piperidin-1-yl] N-(1H-indazol-3-yl)carbamate (PubChem CID 118555436) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is [4-hydroxy-4-(3-methylphenyl)piperidin-1-yl] N-(1H-indazol-3-yl)carbamate.

Molecular Properties

Compound Name[4-hydroxy-4-(3-methylphenyl)piperidin-1-yl] N-(1H-indazol-3-yl)carbamate
PubChem CID118555436
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC Name[4-hydroxy-4-(3-methylphenyl)piperidin-1-yl] N-(1H-indazol-3-yl)carbamate
SMILESCc1cccc(C2(O)CCN(OC(=O)Nc3n[nH]c4ccccc34)CC2)c1
InChIInChI=1S/C20H22N4O3/c1-14-5-4-6-15(13-14)20(26)9-11-24(12-10-20)27-19(25)21-18-16-7-2-3-8-17(16)22-23-18/h2-8,13,26H,9-12H2,1H3,(H2,21,22,23,25)
InChIKeyQAHBUZPZUBFJIL-UHFFFAOYSA-N
XLogP3.32
TPSA90.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-hydroxy-N-(1H-indazol-3-yl)-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 11177159
4-hydroxy-N-(1H-indazol-3-yl)-4-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 11441481
4-(3,4-dichlorophenyl)-4-hydroxy-N-(1H-indazol-3-yl)piperidine-1-carboxamide
CID 11774091
(4-phenyl-3,6-dihydro-2H-pyridin-1-yl) N-(1H-indazol-3-yl)carbamate
CID 118555430
1-(1H-indazol-3-yl)-3-(3-methylphenyl)urea
CID 62686211
3-(4-fluorophenyl)-3-hydroxy-N-(1H-indazol-3-yl)pyrrolidine-1-carboxamide
CID 58926880
N-(1H-indazol-3-yl)-2-(3-methylphenyl)acetamide
CID 62686567
[4-[3-fluoro-5-(trifluoromethyl)phenyl]piperazin-1-yl] N-(1H-indazol-3-yl)carbamate
CID 118555428
4-(3-chloro-2-methylphenyl)-4-hydroxy-N-(1H-indazol-3-yl)piperidine-1-carboxamide
CID 58926861
(5-oxo-1,2,4,6-tetrahydrobenzo[f][2,7]naphthyridin-3-yl) N-(1H-indazol-3-yl)carbamate
CID 118555459
4-[3-fluoro-5-(trifluoromethyl)phenyl]-4-hydroxy-N-(1H-indazol-3-yl)piperidine-1-carboxamide
CID 11281628
4-(2,5-dichlorophenyl)-4-hydroxy-N-(1H-indazol-3-yl)piperidine-1-carboxamide
CID 11338671

Frequently Asked Questions

What is the IUPAC name of [4-hydroxy-4-(3-methylphenyl)piperidin-1-yl] N-(1H-indazol-3-yl)carbamate?
The IUPAC name of [4-hydroxy-4-(3-methylphenyl)piperidin-1-yl] N-(1H-indazol-3-yl)carbamate (CID 118555436) is [4-hydroxy-4-(3-methylphenyl)piperidin-1-yl] N-(1H-indazol-3-yl)carbamate.
What is the SMILES notation for [4-hydroxy-4-(3-methylphenyl)piperidin-1-yl] N-(1H-indazol-3-yl)carbamate?
The canonical SMILES for [4-hydroxy-4-(3-methylphenyl)piperidin-1-yl] N-(1H-indazol-3-yl)carbamate is Cc1cccc(C2(O)CCN(OC(=O)Nc3n[nH]c4ccccc34)CC2)c1.
What is the InChIKey of [4-hydroxy-4-(3-methylphenyl)piperidin-1-yl] N-(1H-indazol-3-yl)carbamate?
The InChIKey is QAHBUZPZUBFJIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-14-5-4-6-15(13-14)20(26)9-11-24(12-10-20)27-19(25)21-18-16-7-2-3-8-17(16)22-23-18/h2-8,13,26H,9-12H2,1H3,(H2,21,22,23,25).
What are the key properties of [4-hydroxy-4-(3-methylphenyl)piperidin-1-yl] N-(1H-indazol-3-yl)carbamate?
[4-hydroxy-4-(3-methylphenyl)piperidin-1-yl] N-(1H-indazol-3-yl)carbamate has a molecular weight of 366.42 g/mol, XLogP of 3.32, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-hydroxy-4-(3-methylphenyl)piperidin-1-yl] N-(1H-indazol-3-yl)carbamate is sourced from PubChem (CID 118555436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).