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

C23H29N5OS — CID 24792955

IUPAC1-[(3-methyl-1-propylpyrazol-4-yl)methyl]-N-[3-(1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide
SMILESCCCn1cc(CN2CCC(C(=O)Nc3cccc(-c4cscn4)c3)CC2)c(C)n1
InChIInChI=1S/C23H29N5OS/c1-3-9-28-14-20(17(2)26-28)13-27-10-7-18(8-11-27)23(29)25-21-6-4-5-19(12-21)22-15-30-16-24-22/h4-6,12,14-16,18H,3,7-11,13H2,1-2H3,(H,25,29)
InChIKeyYEZYZGUMBYVXPY-UHFFFAOYSA-N
MW423.59 g/mol
LogP4.58
Rot. Bonds7

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

1-[(3-methyl-1-propylpyrazol-4-yl)methyl]-N-[3-(1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide (PubChem CID 24792955) has the molecular formula C23H29N5OS and a molecular weight of 423.59 g/mol. Its IUPAC name is 1-[(3-methyl-1-propylpyrazol-4-yl)methyl]-N-[3-(1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(3-methyl-1-propylpyrazol-4-yl)methyl]-N-[3-(1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide
PubChem CID24792955
Molecular FormulaC23H29N5OS
Molecular Weight423.59 g/mol
Exact Mass423.21
IUPAC Name1-[(3-methyl-1-propylpyrazol-4-yl)methyl]-N-[3-(1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide
SMILESCCCn1cc(CN2CCC(C(=O)Nc3cccc(-c4cscn4)c3)CC2)c(C)n1
InChIInChI=1S/C23H29N5OS/c1-3-9-28-14-20(17(2)26-28)13-27-10-7-18(8-11-27)23(29)25-21-6-4-5-19(12-21)22-15-30-16-24-22/h4-6,12,14-16,18H,3,7-11,13H2,1-2H3,(H,25,29)
InChIKeyYEZYZGUMBYVXPY-UHFFFAOYSA-N
XLogP4.58
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.59
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-methyl-1-propylpyrazol-4-yl)methyl]-N-[3-(1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(3-methyl-1-propylpyrazol-4-yl)methyl]-N-[3-(1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide (CID 24792955) is 1-[(3-methyl-1-propylpyrazol-4-yl)methyl]-N-[3-(1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(3-methyl-1-propylpyrazol-4-yl)methyl]-N-[3-(1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(3-methyl-1-propylpyrazol-4-yl)methyl]-N-[3-(1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide is CCCn1cc(CN2CCC(C(=O)Nc3cccc(-c4cscn4)c3)CC2)c(C)n1.
What is the InChIKey of 1-[(3-methyl-1-propylpyrazol-4-yl)methyl]-N-[3-(1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide?
The InChIKey is YEZYZGUMBYVXPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5OS/c1-3-9-28-14-20(17(2)26-28)13-27-10-7-18(8-11-27)23(29)25-21-6-4-5-19(12-21)22-15-30-16-24-22/h4-6,12,14-16,18H,3,7-11,13H2,1-2H3,(H,25,29).
What are the key properties of 1-[(3-methyl-1-propylpyrazol-4-yl)methyl]-N-[3-(1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide?
1-[(3-methyl-1-propylpyrazol-4-yl)methyl]-N-[3-(1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide has a molecular weight of 423.59 g/mol, XLogP of 4.58, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methyl-1-propylpyrazol-4-yl)methyl]-N-[3-(1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 24792955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).