1-(1-ethylpyrazole-3-carbonyl)-2-methyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]piperidine-2-carboxamide

C19H27N5O2S — CID 110085882

IUPAC1-(1-ethylpyrazole-3-carbonyl)-2-methyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]piperidine-2-carboxamide
SMILESCCn1ccc(C(=O)N2CCCCC2(C)C(=O)NCCc2ncc(C)s2)n1
InChIInChI=1S/C19H27N5O2S/c1-4-23-12-8-15(22-23)17(25)24-11-6-5-9-19(24,3)18(26)20-10-7-16-21-13-14(2)27-16/h8,12-13H,4-7,9-11H2,1-3H3,(H,20,26)
InChIKeyJAXXBQVBBXIXPG-UHFFFAOYSA-N
MW389.53 g/mol
LogP2.41
Rot. Bonds6

About 1-(1-ethylpyrazole-3-carbonyl)-2-methyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]piperidine-2-carboxamide

1-(1-ethylpyrazole-3-carbonyl)-2-methyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]piperidine-2-carboxamide (PubChem CID 110085882) has the molecular formula C19H27N5O2S and a molecular weight of 389.53 g/mol. Its IUPAC name is 1-(1-ethylpyrazole-3-carbonyl)-2-methyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name1-(1-ethylpyrazole-3-carbonyl)-2-methyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]piperidine-2-carboxamide
PubChem CID110085882
Molecular FormulaC19H27N5O2S
Molecular Weight389.53 g/mol
Exact Mass389.19
IUPAC Name1-(1-ethylpyrazole-3-carbonyl)-2-methyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]piperidine-2-carboxamide
SMILESCCn1ccc(C(=O)N2CCCCC2(C)C(=O)NCCc2ncc(C)s2)n1
InChIInChI=1S/C19H27N5O2S/c1-4-23-12-8-15(22-23)17(25)24-11-6-5-9-19(24,3)18(26)20-10-7-16-21-13-14(2)27-16/h8,12-13H,4-7,9-11H2,1-3H3,(H,20,26)
InChIKeyJAXXBQVBBXIXPG-UHFFFAOYSA-N
XLogP2.41
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.53
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-(1-ethylpyrazole-3-carbonyl)-2-methylpiperidine-2-carboxamide
CID 124944516
(1-ethylpyrazol-3-yl)-[(2S)-2-methyl-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]methanone
CID 92632361
N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]adamantane-1-carboxamide
CID 110739344
2-[1-(1-ethylpyrazole-3-carbonyl)piperidin-3-yl]-N-[2-(5-methylthiophen-2-yl)ethyl]acetamide
CID 110085839
1-acetyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]piperidine-4-carboxamide
CID 110746479
2-(5-methyl-1,3-thiazol-2-yl)ethylurea
CID 130652199
(2S)-1-benzoyl-2-methyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]piperidine-2-carboxamide
CID 97349528
1-[2-(4-hydroxyphenyl)ethyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 71868421
[(3R)-1-(1-ethylpyrazole-3-carbonyl)pyrrolidin-3-yl]-piperidin-1-ylmethanone
CID 92633373
1-amino-N-[(5-methyl-1,3-thiazol-2-yl)methyl]cyclopentane-1-carboxamide
CID 103814785
N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 110739296
(1-ethylpyrazol-3-yl)-[2-[(2-fluorophenyl)methyl]-2-methylpyrrolidin-1-yl]methanone
CID 136549425

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpyrazole-3-carbonyl)-2-methyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]piperidine-2-carboxamide?
The IUPAC name of 1-(1-ethylpyrazole-3-carbonyl)-2-methyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]piperidine-2-carboxamide (CID 110085882) is 1-(1-ethylpyrazole-3-carbonyl)-2-methyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]piperidine-2-carboxamide.
What is the SMILES notation for 1-(1-ethylpyrazole-3-carbonyl)-2-methyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]piperidine-2-carboxamide?
The canonical SMILES for 1-(1-ethylpyrazole-3-carbonyl)-2-methyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]piperidine-2-carboxamide is CCn1ccc(C(=O)N2CCCCC2(C)C(=O)NCCc2ncc(C)s2)n1.
What is the InChIKey of 1-(1-ethylpyrazole-3-carbonyl)-2-methyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]piperidine-2-carboxamide?
The InChIKey is JAXXBQVBBXIXPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O2S/c1-4-23-12-8-15(22-23)17(25)24-11-6-5-9-19(24,3)18(26)20-10-7-16-21-13-14(2)27-16/h8,12-13H,4-7,9-11H2,1-3H3,(H,20,26).
What are the key properties of 1-(1-ethylpyrazole-3-carbonyl)-2-methyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]piperidine-2-carboxamide?
1-(1-ethylpyrazole-3-carbonyl)-2-methyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]piperidine-2-carboxamide has a molecular weight of 389.53 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpyrazole-3-carbonyl)-2-methyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]piperidine-2-carboxamide is sourced from PubChem (CID 110085882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).