1-[(1-propan-2-ylpyrazol-4-yl)methyl]-N-[3-(1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide

C22H27N5OS — CID 24792010

IUPAC1-[(1-propan-2-ylpyrazol-4-yl)methyl]-N-[3-(1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide
SMILESCC(C)n1cc(CN2CCC(C(=O)Nc3cccc(-c4cscn4)c3)CC2)cn1
InChIInChI=1S/C22H27N5OS/c1-16(2)27-13-17(11-24-27)12-26-8-6-18(7-9-26)22(28)25-20-5-3-4-19(10-20)21-14-29-15-23-21/h3-5,10-11,13-16,18H,6-9,12H2,1-2H3,(H,25,28)
InChIKeyQYGNWSDONLITFZ-UHFFFAOYSA-N
MW409.56 g/mol
LogP4.44
Rot. Bonds6

About 1-[(1-propan-2-ylpyrazol-4-yl)methyl]-N-[3-(1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide

1-[(1-propan-2-ylpyrazol-4-yl)methyl]-N-[3-(1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide (PubChem CID 24792010) has the molecular formula C22H27N5OS and a molecular weight of 409.56 g/mol. Its IUPAC name is 1-[(1-propan-2-ylpyrazol-4-yl)methyl]-N-[3-(1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(1-propan-2-ylpyrazol-4-yl)methyl]-N-[3-(1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide
PubChem CID24792010
Molecular FormulaC22H27N5OS
Molecular Weight409.56 g/mol
Exact Mass409.19
IUPAC Name1-[(1-propan-2-ylpyrazol-4-yl)methyl]-N-[3-(1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide
SMILESCC(C)n1cc(CN2CCC(C(=O)Nc3cccc(-c4cscn4)c3)CC2)cn1
InChIInChI=1S/C22H27N5OS/c1-16(2)27-13-17(11-24-27)12-26-8-6-18(7-9-26)22(28)25-20-5-3-4-19(10-20)21-14-29-15-23-21/h3-5,10-11,13-16,18H,6-9,12H2,1-2H3,(H,25,28)
InChIKeyQYGNWSDONLITFZ-UHFFFAOYSA-N
XLogP4.44
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.56
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-propan-2-ylpyrazol-4-yl)methyl]-N-[3-(1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(1-propan-2-ylpyrazol-4-yl)methyl]-N-[3-(1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide (CID 24792010) is 1-[(1-propan-2-ylpyrazol-4-yl)methyl]-N-[3-(1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(1-propan-2-ylpyrazol-4-yl)methyl]-N-[3-(1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(1-propan-2-ylpyrazol-4-yl)methyl]-N-[3-(1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide is CC(C)n1cc(CN2CCC(C(=O)Nc3cccc(-c4cscn4)c3)CC2)cn1.
What is the InChIKey of 1-[(1-propan-2-ylpyrazol-4-yl)methyl]-N-[3-(1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide?
The InChIKey is QYGNWSDONLITFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5OS/c1-16(2)27-13-17(11-24-27)12-26-8-6-18(7-9-26)22(28)25-20-5-3-4-19(10-20)21-14-29-15-23-21/h3-5,10-11,13-16,18H,6-9,12H2,1-2H3,(H,25,28).
What are the key properties of 1-[(1-propan-2-ylpyrazol-4-yl)methyl]-N-[3-(1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide?
1-[(1-propan-2-ylpyrazol-4-yl)methyl]-N-[3-(1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide has a molecular weight of 409.56 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-propan-2-ylpyrazol-4-yl)methyl]-N-[3-(1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 24792010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).