(3R)-N-(1-benzyl-4-propan-2-yloxyindazol-3-yl)-6-oxopiperidine-3-carboxamide

C23H26N4O3 — CID 95871894

IUPAC(3R)-N-(1-benzyl-4-propan-2-yloxyindazol-3-yl)-6-oxopiperidine-3-carboxamide
SMILESCC(C)Oc1cccc2c1c(NC(=O)[C@@H]1CCC(=O)NC1)nn2Cc1ccccc1
InChIInChI=1S/C23H26N4O3/c1-15(2)30-19-10-6-9-18-21(19)22(25-23(29)17-11-12-20(28)24-13-17)26-27(18)14-16-7-4-3-5-8-16/h3-10,15,17H,11-14H2,1-2H3,(H,24,28)(H,25,26,29)/t17-/m1/s1
InChIKeyZQJOJSFUSWYCLU-QGZVFWFLSA-N
MW406.49 g/mol
LogP3.34
Rot. Bonds6

About (3R)-N-(1-benzyl-4-propan-2-yloxyindazol-3-yl)-6-oxopiperidine-3-carboxamide

(3R)-N-(1-benzyl-4-propan-2-yloxyindazol-3-yl)-6-oxopiperidine-3-carboxamide (PubChem CID 95871894) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is (3R)-N-(1-benzyl-4-propan-2-yloxyindazol-3-yl)-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(1-benzyl-4-propan-2-yloxyindazol-3-yl)-6-oxopiperidine-3-carboxamide
PubChem CID95871894
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC Name(3R)-N-(1-benzyl-4-propan-2-yloxyindazol-3-yl)-6-oxopiperidine-3-carboxamide
SMILESCC(C)Oc1cccc2c1c(NC(=O)[C@@H]1CCC(=O)NC1)nn2Cc1ccccc1
InChIInChI=1S/C23H26N4O3/c1-15(2)30-19-10-6-9-18-21(19)22(25-23(29)17-11-12-20(28)24-13-17)26-27(18)14-16-7-4-3-5-8-16/h3-10,15,17H,11-14H2,1-2H3,(H,24,28)(H,25,26,29)/t17-/m1/s1
InChIKeyZQJOJSFUSWYCLU-QGZVFWFLSA-N
XLogP3.34
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3R)-N-(1-benzyl-4-propan-2-yloxyindazol-3-yl)-6-oxopiperidine-3-carboxamide with MolForge

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Related Compounds

N-(1-benzyl-4-propan-2-yloxyindazol-3-yl)-6-oxopiperidine-3-carboxamide
CID 70742020
(2R)-N-(1-methyl-4-propan-2-yloxyindazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 95897378
1-(3-hydroxyphenyl)-N-(1-methyl-4-propan-2-yloxyindazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 70731529
(3S)-N-[1-benzyl-5-(3-propylphenyl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide
CID 89476663
(3R)-N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-6-oxopiperidine-3-carboxamide
CID 95044599
N-[(3S)-6-oxopiperidin-3-yl]-2-propan-2-yloxybenzamide
CID 95324961
N-benzyl-N-methyl-6-oxopiperidine-3-carboxamide
CID 74464257
N-[(3-chlorophenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 112728690
ethyl 2-[(6-oxopiperidine-3-carbonyl)amino]benzoate
CID 112729067
N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-6-oxopiperidine-3-carboxamide
CID 122303452
N-(2-iodophenyl)-6-oxopiperidine-3-carboxamide
CID 78281148
N-(2-tert-butylphenyl)-6-oxopiperidine-3-carboxamide
CID 76871965

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(1-benzyl-4-propan-2-yloxyindazol-3-yl)-6-oxopiperidine-3-carboxamide?
The IUPAC name of (3R)-N-(1-benzyl-4-propan-2-yloxyindazol-3-yl)-6-oxopiperidine-3-carboxamide (CID 95871894) is (3R)-N-(1-benzyl-4-propan-2-yloxyindazol-3-yl)-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(1-benzyl-4-propan-2-yloxyindazol-3-yl)-6-oxopiperidine-3-carboxamide?
The canonical SMILES for (3R)-N-(1-benzyl-4-propan-2-yloxyindazol-3-yl)-6-oxopiperidine-3-carboxamide is CC(C)Oc1cccc2c1c(NC(=O)[C@@H]1CCC(=O)NC1)nn2Cc1ccccc1.
What is the InChIKey of (3R)-N-(1-benzyl-4-propan-2-yloxyindazol-3-yl)-6-oxopiperidine-3-carboxamide?
The InChIKey is ZQJOJSFUSWYCLU-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-15(2)30-19-10-6-9-18-21(19)22(25-23(29)17-11-12-20(28)24-13-17)26-27(18)14-16-7-4-3-5-8-16/h3-10,15,17H,11-14H2,1-2H3,(H,24,28)(H,25,26,29)/t17-/m1/s1.
What are the key properties of (3R)-N-(1-benzyl-4-propan-2-yloxyindazol-3-yl)-6-oxopiperidine-3-carboxamide?
(3R)-N-(1-benzyl-4-propan-2-yloxyindazol-3-yl)-6-oxopiperidine-3-carboxamide has a molecular weight of 406.49 g/mol, XLogP of 3.34, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(1-benzyl-4-propan-2-yloxyindazol-3-yl)-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 95871894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).