3-[4-(dimethylcarbamoyl)-1H-pyrazol-5-yl]-N-[2-(1H-indol-3-yl)ethyl]piperidine-1-carboxamide

C22H28N6O2 — CID 128998937

IUPAC3-[4-(dimethylcarbamoyl)-1H-pyrazol-5-yl]-N-[2-(1H-indol-3-yl)ethyl]piperidine-1-carboxamide
SMILESCN(C)C(=O)c1cn[nH]c1C1CCCN(C(=O)NCCc2c[nH]c3ccccc23)C1
InChIInChI=1S/C22H28N6O2/c1-27(2)21(29)18-13-25-26-20(18)16-6-5-11-28(14-16)22(30)23-10-9-15-12-24-19-8-4-3-7-17(15)19/h3-4,7-8,12-13,16,24H,5-6,9-11,14H2,1-2H3,(H,23,30)(H,25,26)
InChIKeyDGDINKXDAJMLLC-UHFFFAOYSA-N
MW408.51 g/mol
LogP2.72
Rot. Bonds5

About 3-[4-(dimethylcarbamoyl)-1H-pyrazol-5-yl]-N-[2-(1H-indol-3-yl)ethyl]piperidine-1-carboxamide

3-[4-(dimethylcarbamoyl)-1H-pyrazol-5-yl]-N-[2-(1H-indol-3-yl)ethyl]piperidine-1-carboxamide (PubChem CID 128998937) has the molecular formula C22H28N6O2 and a molecular weight of 408.51 g/mol. Its IUPAC name is 3-[4-(dimethylcarbamoyl)-1H-pyrazol-5-yl]-N-[2-(1H-indol-3-yl)ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name3-[4-(dimethylcarbamoyl)-1H-pyrazol-5-yl]-N-[2-(1H-indol-3-yl)ethyl]piperidine-1-carboxamide
PubChem CID128998937
Molecular FormulaC22H28N6O2
Molecular Weight408.51 g/mol
Exact Mass408.23
IUPAC Name3-[4-(dimethylcarbamoyl)-1H-pyrazol-5-yl]-N-[2-(1H-indol-3-yl)ethyl]piperidine-1-carboxamide
SMILESCN(C)C(=O)c1cn[nH]c1C1CCCN(C(=O)NCCc2c[nH]c3ccccc23)C1
InChIInChI=1S/C22H28N6O2/c1-27(2)21(29)18-13-25-26-20(18)16-6-5-11-28(14-16)22(30)23-10-9-15-12-24-19-8-4-3-7-17(15)19/h3-4,7-8,12-13,16,24H,5-6,9-11,14H2,1-2H3,(H,23,30)(H,25,26)
InChIKeyDGDINKXDAJMLLC-UHFFFAOYSA-N
XLogP2.72
TPSA97.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.51
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-[4-(dimethylcarbamoyl)-1H-pyrazol-5-yl]-N-[2-(1H-indol-3-yl)ethyl]piperidine-1-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-(1H-indol-3-yl)propylcarbamoyl]piperidine-3-carboxylic acid
CID 122001294
(6S)-N-[2-(1H-indol-3-yl)ethyl]-6-methyl-1,1-dioxo-1,4-thiazepane-4-carboxamide
CID 129402017
N,N-dimethyl-5-[(3S)-1-(5-propyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]-1H-pyrazole-4-carboxamide
CID 124953653
(3S)-3-N-[2-(1H-indol-3-yl)ethyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 40972160
1-[2-(1H-indol-3-yl)ethyl]-2-methyl-3-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]guanidine
CID 110996255
3-(1H-indol-3-yl)-1-[3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]propan-1-one
CID 155983538
5-[(3R)-1-(3-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperidin-3-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide
CID 129324033
N-[2-(1H-indol-3-yl)ethyl]-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide
CID 113105921
N-[2-(1H-indol-3-yl)ethyl]-4-(thian-4-yl)piperazine-1-carboxamide
CID 119065686
5-[1-[(2-chlorophenyl)methyl]pyrrolidin-3-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide
CID 110259464
N-[2-(1H-indol-3-yl)ethyl]-3-oxo-4-propyl-1,4-diazepane-1-carboxamide
CID 99791562
2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 17413437

Frequently Asked Questions

What is the IUPAC name of 3-[4-(dimethylcarbamoyl)-1H-pyrazol-5-yl]-N-[2-(1H-indol-3-yl)ethyl]piperidine-1-carboxamide?
The IUPAC name of 3-[4-(dimethylcarbamoyl)-1H-pyrazol-5-yl]-N-[2-(1H-indol-3-yl)ethyl]piperidine-1-carboxamide (CID 128998937) is 3-[4-(dimethylcarbamoyl)-1H-pyrazol-5-yl]-N-[2-(1H-indol-3-yl)ethyl]piperidine-1-carboxamide.
What is the SMILES notation for 3-[4-(dimethylcarbamoyl)-1H-pyrazol-5-yl]-N-[2-(1H-indol-3-yl)ethyl]piperidine-1-carboxamide?
The canonical SMILES for 3-[4-(dimethylcarbamoyl)-1H-pyrazol-5-yl]-N-[2-(1H-indol-3-yl)ethyl]piperidine-1-carboxamide is CN(C)C(=O)c1cn[nH]c1C1CCCN(C(=O)NCCc2c[nH]c3ccccc23)C1.
What is the InChIKey of 3-[4-(dimethylcarbamoyl)-1H-pyrazol-5-yl]-N-[2-(1H-indol-3-yl)ethyl]piperidine-1-carboxamide?
The InChIKey is DGDINKXDAJMLLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O2/c1-27(2)21(29)18-13-25-26-20(18)16-6-5-11-28(14-16)22(30)23-10-9-15-12-24-19-8-4-3-7-17(15)19/h3-4,7-8,12-13,16,24H,5-6,9-11,14H2,1-2H3,(H,23,30)(H,25,26).
What are the key properties of 3-[4-(dimethylcarbamoyl)-1H-pyrazol-5-yl]-N-[2-(1H-indol-3-yl)ethyl]piperidine-1-carboxamide?
3-[4-(dimethylcarbamoyl)-1H-pyrazol-5-yl]-N-[2-(1H-indol-3-yl)ethyl]piperidine-1-carboxamide has a molecular weight of 408.51 g/mol, XLogP of 2.72, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(dimethylcarbamoyl)-1H-pyrazol-5-yl]-N-[2-(1H-indol-3-yl)ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 128998937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).