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

C20H23N5OS — CID 24791640

IUPAC1-[(1-methylpyrazol-4-yl)methyl]-N-[3-(1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide
SMILESCn1cc(CN2CCC(C(=O)Nc3cccc(-c4cscn4)c3)CC2)cn1
InChIInChI=1S/C20H23N5OS/c1-24-11-15(10-22-24)12-25-7-5-16(6-8-25)20(26)23-18-4-2-3-17(9-18)19-13-27-14-21-19/h2-4,9-11,13-14,16H,5-8,12H2,1H3,(H,23,26)
InChIKeyDEZZIHPGOWQOPM-UHFFFAOYSA-N
MW381.51 g/mol
LogP3.39
Rot. Bonds5

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

1-[(1-methylpyrazol-4-yl)methyl]-N-[3-(1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide (PubChem CID 24791640) has the molecular formula C20H23N5OS and a molecular weight of 381.51 g/mol. Its IUPAC name is 1-[(1-methylpyrazol-4-yl)methyl]-N-[3-(1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(1-methylpyrazol-4-yl)methyl]-N-[3-(1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide
PubChem CID24791640
Molecular FormulaC20H23N5OS
Molecular Weight381.51 g/mol
Exact Mass381.16
IUPAC Name1-[(1-methylpyrazol-4-yl)methyl]-N-[3-(1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide
SMILESCn1cc(CN2CCC(C(=O)Nc3cccc(-c4cscn4)c3)CC2)cn1
InChIInChI=1S/C20H23N5OS/c1-24-11-15(10-22-24)12-25-7-5-16(6-8-25)20(26)23-18-4-2-3-17(9-18)19-13-27-14-21-19/h2-4,9-11,13-14,16H,5-8,12H2,1H3,(H,23,26)
InChIKeyDEZZIHPGOWQOPM-UHFFFAOYSA-N
XLogP3.39
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.51
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylpyrazol-4-yl)methyl]-N-[3-(1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(1-methylpyrazol-4-yl)methyl]-N-[3-(1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide (CID 24791640) is 1-[(1-methylpyrazol-4-yl)methyl]-N-[3-(1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(1-methylpyrazol-4-yl)methyl]-N-[3-(1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(1-methylpyrazol-4-yl)methyl]-N-[3-(1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide is Cn1cc(CN2CCC(C(=O)Nc3cccc(-c4cscn4)c3)CC2)cn1.
What is the InChIKey of 1-[(1-methylpyrazol-4-yl)methyl]-N-[3-(1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide?
The InChIKey is DEZZIHPGOWQOPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5OS/c1-24-11-15(10-22-24)12-25-7-5-16(6-8-25)20(26)23-18-4-2-3-17(9-18)19-13-27-14-21-19/h2-4,9-11,13-14,16H,5-8,12H2,1H3,(H,23,26).
What are the key properties of 1-[(1-methylpyrazol-4-yl)methyl]-N-[3-(1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide?
1-[(1-methylpyrazol-4-yl)methyl]-N-[3-(1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide has a molecular weight of 381.51 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylpyrazol-4-yl)methyl]-N-[3-(1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 24791640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).