N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxamide

C22H27N5OS — CID 24791869

IUPACN-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxamide
SMILESCc1cc(C)n(-c2ccc(NC(=O)C3CCN(Cc4cnc(C)s4)CC3)cc2)n1
InChIInChI=1S/C22H27N5OS/c1-15-12-16(2)27(25-15)20-6-4-19(5-7-20)24-22(28)18-8-10-26(11-9-18)14-21-13-23-17(3)29-21/h4-7,12-13,18H,8-11,14H2,1-3H3,(H,24,28)
InChIKeyKOYQCCHBZCHHPZ-UHFFFAOYSA-N
MW409.56 g/mol
LogP4.10
Rot. Bonds5

About N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxamide

N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxamide (PubChem CID 24791869) has the molecular formula C22H27N5OS and a molecular weight of 409.56 g/mol. Its IUPAC name is N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxamide
PubChem CID24791869
Molecular FormulaC22H27N5OS
Molecular Weight409.56 g/mol
Exact Mass409.19
IUPAC NameN-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxamide
SMILESCc1cc(C)n(-c2ccc(NC(=O)C3CCN(Cc4cnc(C)s4)CC3)cc2)n1
InChIInChI=1S/C22H27N5OS/c1-15-12-16(2)27(25-15)20-6-4-19(5-7-20)24-22(28)18-8-10-26(11-9-18)14-21-13-23-17(3)29-21/h4-7,12-13,18H,8-11,14H2,1-3H3,(H,24,28)
InChIKeyKOYQCCHBZCHHPZ-UHFFFAOYSA-N
XLogP4.10
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.56
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxamide (CID 24791869) is N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxamide is Cc1cc(C)n(-c2ccc(NC(=O)C3CCN(Cc4cnc(C)s4)CC3)cc2)n1.
What is the InChIKey of N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxamide?
The InChIKey is KOYQCCHBZCHHPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5OS/c1-15-12-16(2)27(25-15)20-6-4-19(5-7-20)24-22(28)18-8-10-26(11-9-18)14-21-13-23-17(3)29-21/h4-7,12-13,18H,8-11,14H2,1-3H3,(H,24,28).
What are the key properties of N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxamide?
N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxamide has a molecular weight of 409.56 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 24791869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).