4-(1-ethylpyrazol-4-yl)-N-[(2R)-2-(1,3-thiazol-2-yl)propyl]piperidine-1-carboxamide

C17H25N5OS — CID 124619050

IUPAC4-(1-ethylpyrazol-4-yl)-N-[(2R)-2-(1,3-thiazol-2-yl)propyl]piperidine-1-carboxamide
SMILESCCn1cc(C2CCN(C(=O)NC[C@@H](C)c3nccs3)CC2)cn1
InChIInChI=1S/C17H25N5OS/c1-3-22-12-15(11-20-22)14-4-7-21(8-5-14)17(23)19-10-13(2)16-18-6-9-24-16/h6,9,11-14H,3-5,7-8,10H2,1-2H3,(H,19,23)/t13-/m1/s1
InChIKeyCLEIIUBQBIMMID-CYBMUJFWSA-N
MW347.49 g/mol
LogP3.05
Rot. Bonds5

About 4-(1-ethylpyrazol-4-yl)-N-[(2R)-2-(1,3-thiazol-2-yl)propyl]piperidine-1-carboxamide

4-(1-ethylpyrazol-4-yl)-N-[(2R)-2-(1,3-thiazol-2-yl)propyl]piperidine-1-carboxamide (PubChem CID 124619050) has the molecular formula C17H25N5OS and a molecular weight of 347.49 g/mol. Its IUPAC name is 4-(1-ethylpyrazol-4-yl)-N-[(2R)-2-(1,3-thiazol-2-yl)propyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(1-ethylpyrazol-4-yl)-N-[(2R)-2-(1,3-thiazol-2-yl)propyl]piperidine-1-carboxamide
PubChem CID124619050
Molecular FormulaC17H25N5OS
Molecular Weight347.49 g/mol
Exact Mass347.18
IUPAC Name4-(1-ethylpyrazol-4-yl)-N-[(2R)-2-(1,3-thiazol-2-yl)propyl]piperidine-1-carboxamide
SMILESCCn1cc(C2CCN(C(=O)NC[C@@H](C)c3nccs3)CC2)cn1
InChIInChI=1S/C17H25N5OS/c1-3-22-12-15(11-20-22)14-4-7-21(8-5-14)17(23)19-10-13(2)16-18-6-9-24-16/h6,9,11-14H,3-5,7-8,10H2,1-2H3,(H,19,23)/t13-/m1/s1
InChIKeyCLEIIUBQBIMMID-CYBMUJFWSA-N
XLogP3.05
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.49
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1-ethylpyrazol-4-yl)-N-[(2R)-2-(1,3-thiazol-2-yl)propyl]piperidine-1-carboxamide?
The IUPAC name of 4-(1-ethylpyrazol-4-yl)-N-[(2R)-2-(1,3-thiazol-2-yl)propyl]piperidine-1-carboxamide (CID 124619050) is 4-(1-ethylpyrazol-4-yl)-N-[(2R)-2-(1,3-thiazol-2-yl)propyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-(1-ethylpyrazol-4-yl)-N-[(2R)-2-(1,3-thiazol-2-yl)propyl]piperidine-1-carboxamide?
The canonical SMILES for 4-(1-ethylpyrazol-4-yl)-N-[(2R)-2-(1,3-thiazol-2-yl)propyl]piperidine-1-carboxamide is CCn1cc(C2CCN(C(=O)NC[C@@H](C)c3nccs3)CC2)cn1.
What is the InChIKey of 4-(1-ethylpyrazol-4-yl)-N-[(2R)-2-(1,3-thiazol-2-yl)propyl]piperidine-1-carboxamide?
The InChIKey is CLEIIUBQBIMMID-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H25N5OS/c1-3-22-12-15(11-20-22)14-4-7-21(8-5-14)17(23)19-10-13(2)16-18-6-9-24-16/h6,9,11-14H,3-5,7-8,10H2,1-2H3,(H,19,23)/t13-/m1/s1.
What are the key properties of 4-(1-ethylpyrazol-4-yl)-N-[(2R)-2-(1,3-thiazol-2-yl)propyl]piperidine-1-carboxamide?
4-(1-ethylpyrazol-4-yl)-N-[(2R)-2-(1,3-thiazol-2-yl)propyl]piperidine-1-carboxamide has a molecular weight of 347.49 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethylpyrazol-4-yl)-N-[(2R)-2-(1,3-thiazol-2-yl)propyl]piperidine-1-carboxamide is sourced from PubChem (CID 124619050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).