3-(4-carbamoyl-1-methylpyrazol-3-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]piperidine-1-carboxamide

C20H22N6O2S — CID 128972578

IUPAC3-(4-carbamoyl-1-methylpyrazol-3-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]piperidine-1-carboxamide
SMILESCn1cc(C(N)=O)c(C2CCCN(C(=O)Nc3ccc(-c4nccs4)cc3)C2)n1
InChIInChI=1S/C20H22N6O2S/c1-25-12-16(18(21)27)17(24-25)14-3-2-9-26(11-14)20(28)23-15-6-4-13(5-7-15)19-22-8-10-29-19/h4-8,10,12,14H,2-3,9,11H2,1H3,(H2,21,27)(H,23,28)
InChIKeyJWAAEZINPQKMOU-UHFFFAOYSA-N
MW410.50 g/mol
LogP3.05
Rot. Bonds4

About 3-(4-carbamoyl-1-methylpyrazol-3-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]piperidine-1-carboxamide

3-(4-carbamoyl-1-methylpyrazol-3-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]piperidine-1-carboxamide (PubChem CID 128972578) has the molecular formula C20H22N6O2S and a molecular weight of 410.50 g/mol. Its IUPAC name is 3-(4-carbamoyl-1-methylpyrazol-3-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name3-(4-carbamoyl-1-methylpyrazol-3-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]piperidine-1-carboxamide
PubChem CID128972578
Molecular FormulaC20H22N6O2S
Molecular Weight410.50 g/mol
Exact Mass410.15
IUPAC Name3-(4-carbamoyl-1-methylpyrazol-3-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]piperidine-1-carboxamide
SMILESCn1cc(C(N)=O)c(C2CCCN(C(=O)Nc3ccc(-c4nccs4)cc3)C2)n1
InChIInChI=1S/C20H22N6O2S/c1-25-12-16(18(21)27)17(24-25)14-3-2-9-26(11-14)20(28)23-15-6-4-13(5-7-15)19-22-8-10-29-19/h4-8,10,12,14H,2-3,9,11H2,1H3,(H2,21,27)(H,23,28)
InChIKeyJWAAEZINPQKMOU-UHFFFAOYSA-N
XLogP3.05
TPSA106.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-hydroxy-N-[4-(1,3-thiazol-2-yl)phenyl]pyrrolidine-1-carboxamide
CID 75502898
3-(4-carbamoyl-1-methylpyrazol-3-yl)-N-[(3-pyridin-2-ylphenyl)methyl]piperidine-1-carboxamide
CID 128968811
tert-butyl N-methyl-N-[[1-[[4-(1,3-thiazol-2-yl)phenyl]carbamoyl]piperidin-3-yl]methyl]carbamate
CID 56519809
3-[(3R)-1-(2-anilinobenzoyl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide
CID 129325046
(3R)-3-(2-amino-2-oxoethyl)-N-[3-(1,3-thiazol-2-yl)phenyl]piperidine-1-carboxamide
CID 99703959
4-benzoyl-N-[4-(1,3-thiazol-2-yl)phenyl]-1,4-diazepane-1-carboxamide
CID 112824892
(3S,4S)-1-[[4-(1,3-thiazol-2-yl)phenyl]carbamoyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 122074444
N-(2-oxo-2-pyrrolidin-1-ylethyl)-N'-[4-(1,3-thiazol-2-yl)phenyl]oxamide
CID 86996837
1-methyl-3-[(3S)-1-[[1-(thiophen-2-ylmethyl)pyrrol-2-yl]methyl]piperidin-3-yl]pyrazole-4-carboxamide
CID 129325316
3-[1-(8-fluoroimidazo[1,5-a]pyridine-3-carbonyl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide
CID 166246650
2-amino-N-[4-(1,3-thiazol-2-yl)phenyl]cyclohexane-1-carboxamide
CID 64822199
(3R)-3-(4-cyclopropyl-1,2,4-triazol-3-yl)-N-thiophen-3-ylpiperidine-1-carboxamide
CID 97349966

Frequently Asked Questions

What is the IUPAC name of 3-(4-carbamoyl-1-methylpyrazol-3-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]piperidine-1-carboxamide?
The IUPAC name of 3-(4-carbamoyl-1-methylpyrazol-3-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]piperidine-1-carboxamide (CID 128972578) is 3-(4-carbamoyl-1-methylpyrazol-3-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]piperidine-1-carboxamide.
What is the SMILES notation for 3-(4-carbamoyl-1-methylpyrazol-3-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]piperidine-1-carboxamide?
The canonical SMILES for 3-(4-carbamoyl-1-methylpyrazol-3-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]piperidine-1-carboxamide is Cn1cc(C(N)=O)c(C2CCCN(C(=O)Nc3ccc(-c4nccs4)cc3)C2)n1.
What is the InChIKey of 3-(4-carbamoyl-1-methylpyrazol-3-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]piperidine-1-carboxamide?
The InChIKey is JWAAEZINPQKMOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O2S/c1-25-12-16(18(21)27)17(24-25)14-3-2-9-26(11-14)20(28)23-15-6-4-13(5-7-15)19-22-8-10-29-19/h4-8,10,12,14H,2-3,9,11H2,1H3,(H2,21,27)(H,23,28).
What are the key properties of 3-(4-carbamoyl-1-methylpyrazol-3-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]piperidine-1-carboxamide?
3-(4-carbamoyl-1-methylpyrazol-3-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]piperidine-1-carboxamide has a molecular weight of 410.50 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-carbamoyl-1-methylpyrazol-3-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 128972578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).