1-(1H-indazole-3-carbonyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide

C19H20N4O2S — CID 42477824

IUPAC1-(1H-indazole-3-carbonyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
SMILESO=C(NCc1cccs1)C1CCN(C(=O)c2n[nH]c3ccccc23)CC1
InChIInChI=1S/C19H20N4O2S/c24-18(20-12-14-4-3-11-26-14)13-7-9-23(10-8-13)19(25)17-15-5-1-2-6-16(15)21-22-17/h1-6,11,13H,7-10,12H2,(H,20,24)(H,21,22)
InChIKeyHXZBDOPFVWNRTK-UHFFFAOYSA-N
MW368.46 g/mol
LogP2.79
Rot. Bonds4

About 1-(1H-indazole-3-carbonyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide

1-(1H-indazole-3-carbonyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide (PubChem CID 42477824) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is 1-(1H-indazole-3-carbonyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(1H-indazole-3-carbonyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
PubChem CID42477824
Molecular FormulaC19H20N4O2S
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC Name1-(1H-indazole-3-carbonyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
SMILESO=C(NCc1cccs1)C1CCN(C(=O)c2n[nH]c3ccccc23)CC1
InChIInChI=1S/C19H20N4O2S/c24-18(20-12-14-4-3-11-26-14)13-7-9-23(10-8-13)19(25)17-15-5-1-2-6-16(15)21-22-17/h1-6,11,13H,7-10,12H2,(H,20,24)(H,21,22)
InChIKeyHXZBDOPFVWNRTK-UHFFFAOYSA-N
XLogP2.79
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1H-Indazole-3-carboxylic acid (8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl)-amide
CID 10062433
4-methyl-N-(3-(2-(6-methyl-5-(2-(thiophen-2-yl)acetamido)-1H-indazol-3-yl)vinyl)phenyl)piperazine-1-carboxamide
CID 16730408
N-(6-methyl-3-(3-((4-methylpiperazin-1-yl)methyl)styryl)-1H-indazol-5-yl)-2-(thiophen-2-yl)acetamide
CID 16730410
N-(4-methyl-3-(3-((4-methylpiperazin-1-yl)methyl)styryl)-1H-indazol-5-yl)-2-(thiophen-2-yl)acetamide
CID 16730586
N-(thiophen-2-ylmethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]indazole-3-carboxamide
CID 66857424
N-[cyclopropyl(thiophen-3-yl)methyl]-3-(3-sulfamoylphenyl)-1H-indazole-5-carboxamide
CID 68229500
3-(3-sulfamoylphenyl)-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide
CID 68229585
N-[cyclopropyl(thiophen-3-yl)methyl]-3-[4-(4-hydroxypiperidin-1-yl)phenyl]-1H-indazole-5-carboxamide
CID 89509755
N-(3-(3-((4-methylpiperazin-1-yl)methyl)styryl)-1H-indazol-5-yl)-2-(thiophen-2-yl)acetamide
CID 23583059
N-[(3R)-1-(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide
CID 168294671
N-[2-[6-oxo-3-propan-2-yl-5-(4-thiophen-3-ylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-4-yl]phenyl]acetamide
CID 58365242
[2-[6-Oxo-3-propan-2-yl-5-(4-thiophen-3-ylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-4-yl]phenyl]urea
CID 58365361

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indazole-3-carbonyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(1H-indazole-3-carbonyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide (CID 42477824) is 1-(1H-indazole-3-carbonyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(1H-indazole-3-carbonyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(1H-indazole-3-carbonyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide is O=C(NCc1cccs1)C1CCN(C(=O)c2n[nH]c3ccccc23)CC1.
What is the InChIKey of 1-(1H-indazole-3-carbonyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide?
The InChIKey is HXZBDOPFVWNRTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S/c24-18(20-12-14-4-3-11-26-14)13-7-9-23(10-8-13)19(25)17-15-5-1-2-6-16(15)21-22-17/h1-6,11,13H,7-10,12H2,(H,20,24)(H,21,22).
What are the key properties of 1-(1H-indazole-3-carbonyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide?
1-(1H-indazole-3-carbonyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide has a molecular weight of 368.46 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indazole-3-carbonyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 42477824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).