1-[(1-ethylpyrazol-4-yl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide

C21H25N5OS — CID 24817631

IUPAC1-[(1-ethylpyrazol-4-yl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide
SMILESCCn1cc(CN2CCCC(C(=O)Nc3ccc(-c4cscn4)cc3)C2)cn1
InChIInChI=1S/C21H25N5OS/c1-2-26-12-16(10-23-26)11-25-9-3-4-18(13-25)21(27)24-19-7-5-17(6-8-19)20-14-28-15-22-20/h5-8,10,12,14-15,18H,2-4,9,11,13H2,1H3,(H,24,27)
InChIKeyQGEXRVGNIANZQG-UHFFFAOYSA-N
MW395.53 g/mol
LogP3.88
Rot. Bonds6

About 1-[(1-ethylpyrazol-4-yl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide

1-[(1-ethylpyrazol-4-yl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide (PubChem CID 24817631) has the molecular formula C21H25N5OS and a molecular weight of 395.53 g/mol. Its IUPAC name is 1-[(1-ethylpyrazol-4-yl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(1-ethylpyrazol-4-yl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide
PubChem CID24817631
Molecular FormulaC21H25N5OS
Molecular Weight395.53 g/mol
Exact Mass395.18
IUPAC Name1-[(1-ethylpyrazol-4-yl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide
SMILESCCn1cc(CN2CCCC(C(=O)Nc3ccc(-c4cscn4)cc3)C2)cn1
InChIInChI=1S/C21H25N5OS/c1-2-26-12-16(10-23-26)11-25-9-3-4-18(13-25)21(27)24-19-7-5-17(6-8-19)20-14-28-15-22-20/h5-8,10,12,14-15,18H,2-4,9,11,13H2,1H3,(H,24,27)
InChIKeyQGEXRVGNIANZQG-UHFFFAOYSA-N
XLogP3.88
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.53
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylpyrazol-4-yl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide?
The IUPAC name of 1-[(1-ethylpyrazol-4-yl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide (CID 24817631) is 1-[(1-ethylpyrazol-4-yl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[(1-ethylpyrazol-4-yl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[(1-ethylpyrazol-4-yl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide is CCn1cc(CN2CCCC(C(=O)Nc3ccc(-c4cscn4)cc3)C2)cn1.
What is the InChIKey of 1-[(1-ethylpyrazol-4-yl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide?
The InChIKey is QGEXRVGNIANZQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5OS/c1-2-26-12-16(10-23-26)11-25-9-3-4-18(13-25)21(27)24-19-7-5-17(6-8-19)20-14-28-15-22-20/h5-8,10,12,14-15,18H,2-4,9,11,13H2,1H3,(H,24,27).
What are the key properties of 1-[(1-ethylpyrazol-4-yl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide?
1-[(1-ethylpyrazol-4-yl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide has a molecular weight of 395.53 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylpyrazol-4-yl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 24817631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).