N-(2-propan-2-yloxyphenyl)-1-(pyridine-3-carbonyl)piperidine-4-carboxamide

C21H25N3O3 — CID 39499134

IUPACN-(2-propan-2-yloxyphenyl)-1-(pyridine-3-carbonyl)piperidine-4-carboxamide
SMILESCC(C)Oc1ccccc1NC(=O)C1CCN(C(=O)c2cccnc2)CC1
InChIInChI=1S/C21H25N3O3/c1-15(2)27-19-8-4-3-7-18(19)23-20(25)16-9-12-24(13-10-16)21(26)17-6-5-11-22-14-17/h3-8,11,14-16H,9-10,12-13H2,1-2H3,(H,23,25)
InChIKeyKRFVNVPYADMHHG-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.36
Rot. Bonds5

About N-(2-propan-2-yloxyphenyl)-1-(pyridine-3-carbonyl)piperidine-4-carboxamide

N-(2-propan-2-yloxyphenyl)-1-(pyridine-3-carbonyl)piperidine-4-carboxamide (PubChem CID 39499134) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is N-(2-propan-2-yloxyphenyl)-1-(pyridine-3-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-propan-2-yloxyphenyl)-1-(pyridine-3-carbonyl)piperidine-4-carboxamide
PubChem CID39499134
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC NameN-(2-propan-2-yloxyphenyl)-1-(pyridine-3-carbonyl)piperidine-4-carboxamide
SMILESCC(C)Oc1ccccc1NC(=O)C1CCN(C(=O)c2cccnc2)CC1
InChIInChI=1S/C21H25N3O3/c1-15(2)27-19-8-4-3-7-18(19)23-20(25)16-9-12-24(13-10-16)21(26)17-6-5-11-22-14-17/h3-8,11,14-16H,9-10,12-13H2,1-2H3,(H,23,25)
InChIKeyKRFVNVPYADMHHG-UHFFFAOYSA-N
XLogP3.36
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2-propan-2-yloxyphenyl)-1-(pyridine-3-carbonyl)piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-methoxybenzoyl)-N-(2-propan-2-yloxyphenyl)piperidine-4-carboxamide
CID 113007631
5-(piperidine-1-carbonyl)-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109102949
N-butan-2-yl-1-(pyridine-3-carbonyl)piperidine-4-carboxamide
CID 113002848
N-(4-methoxyphenyl)-1-(pyridine-3-carbonyl)piperidine-4-carboxamide
CID 113007512
1-(pyridine-3-carbonyl)piperidine-4-carbohydrazide
CID 54794112
N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-1-(pyridine-3-carbonyl)piperidine-4-carboxamide
CID 25342627
1-[2-(2-methylphenyl)acetyl]-N-(2-propan-2-yloxyphenyl)piperidine-4-carboxamide
CID 113007639
N'-(2-methoxyphenyl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]oxamide
CID 71786317
1-benzoyl-N-(2-methyl-3-pyridinyl)piperidine-4-carboxamide
CID 154737923
N-(2-propan-2-yloxyphenyl)-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044330
1-benzoyl-N-(4-propan-2-yloxyphenyl)piperidine-4-carboxamide
CID 110298361
4-N-(2-fluorophenyl)-1-N-(2-propan-2-yloxyphenyl)cyclohexane-1,4-dicarboxamide
CID 109150874

Frequently Asked Questions

What is the IUPAC name of N-(2-propan-2-yloxyphenyl)-1-(pyridine-3-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-(2-propan-2-yloxyphenyl)-1-(pyridine-3-carbonyl)piperidine-4-carboxamide (CID 39499134) is N-(2-propan-2-yloxyphenyl)-1-(pyridine-3-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(2-propan-2-yloxyphenyl)-1-(pyridine-3-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-(2-propan-2-yloxyphenyl)-1-(pyridine-3-carbonyl)piperidine-4-carboxamide is CC(C)Oc1ccccc1NC(=O)C1CCN(C(=O)c2cccnc2)CC1.
What is the InChIKey of N-(2-propan-2-yloxyphenyl)-1-(pyridine-3-carbonyl)piperidine-4-carboxamide?
The InChIKey is KRFVNVPYADMHHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-15(2)27-19-8-4-3-7-18(19)23-20(25)16-9-12-24(13-10-16)21(26)17-6-5-11-22-14-17/h3-8,11,14-16H,9-10,12-13H2,1-2H3,(H,23,25).
What are the key properties of N-(2-propan-2-yloxyphenyl)-1-(pyridine-3-carbonyl)piperidine-4-carboxamide?
N-(2-propan-2-yloxyphenyl)-1-(pyridine-3-carbonyl)piperidine-4-carboxamide has a molecular weight of 367.45 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propan-2-yloxyphenyl)-1-(pyridine-3-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 39499134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).