1-[(5-methylthiophen-2-yl)methyl]-N-(4-pyrazol-1-ylphenyl)piperidine-2-carboxamide

C21H24N4OS — CID 45245025

IUPAC1-[(5-methylthiophen-2-yl)methyl]-N-(4-pyrazol-1-ylphenyl)piperidine-2-carboxamide
SMILESCc1ccc(CN2CCCCC2C(=O)Nc2ccc(-n3cccn3)cc2)s1
InChIInChI=1S/C21H24N4OS/c1-16-6-11-19(27-16)15-24-13-3-2-5-20(24)21(26)23-17-7-9-18(10-8-17)25-14-4-12-22-25/h4,6-12,14,20H,2-3,5,13,15H2,1H3,(H,23,26)
InChIKeyHBWOHUXRXWCLMI-UHFFFAOYSA-N
MW380.52 g/mol
LogP4.24
Rot. Bonds5

About 1-[(5-methylthiophen-2-yl)methyl]-N-(4-pyrazol-1-ylphenyl)piperidine-2-carboxamide

1-[(5-methylthiophen-2-yl)methyl]-N-(4-pyrazol-1-ylphenyl)piperidine-2-carboxamide (PubChem CID 45245025) has the molecular formula C21H24N4OS and a molecular weight of 380.52 g/mol. Its IUPAC name is 1-[(5-methylthiophen-2-yl)methyl]-N-(4-pyrazol-1-ylphenyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name1-[(5-methylthiophen-2-yl)methyl]-N-(4-pyrazol-1-ylphenyl)piperidine-2-carboxamide
PubChem CID45245025
Molecular FormulaC21H24N4OS
Molecular Weight380.52 g/mol
Exact Mass380.17
IUPAC Name1-[(5-methylthiophen-2-yl)methyl]-N-(4-pyrazol-1-ylphenyl)piperidine-2-carboxamide
SMILESCc1ccc(CN2CCCCC2C(=O)Nc2ccc(-n3cccn3)cc2)s1
InChIInChI=1S/C21H24N4OS/c1-16-6-11-19(27-16)15-24-13-3-2-5-20(24)21(26)23-17-7-9-18(10-8-17)25-14-4-12-22-25/h4,6-12,14,20H,2-3,5,13,15H2,1H3,(H,23,26)
InChIKeyHBWOHUXRXWCLMI-UHFFFAOYSA-N
XLogP4.24
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.52
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2-methoxyphenyl)methyl]-N-(4-pyrazol-1-ylphenyl)piperidine-2-carboxamide
CID 45225109
1-(3-methylsulfanylpropyl)-N-(4-pyrazol-1-ylphenyl)piperidine-2-carboxamide
CID 45198770
N-(4-pyrazol-1-ylphenyl)-1-(quinolin-2-ylmethyl)piperidine-2-carboxamide
CID 45228050
1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-N-(4-pyrazol-1-ylphenyl)piperidine-2-carboxamide
CID 45169050
N-(4-pyrazol-1-ylphenyl)-1-(quinolin-8-ylmethyl)piperidine-2-carboxamide
CID 24819180
1-(3-methylbut-2-enyl)-N-(3-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide
CID 45216712
1-butylsulfonyl-N-(4-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide
CID 78888807
(2R)-1-(1H-imidazol-2-ylmethyl)-N-(3-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide
CID 51657479
methyl 1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidine-2-carboxylate
CID 62027872
(2S)-1-(2,2-dimethylpropyl)-N-(3-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide
CID 25366994
(2R)-N-(3-pyrazol-1-ylphenyl)-1-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
CID 42292661
1-[(1-propan-2-ylpyrazol-4-yl)methyl]-N-(3-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide
CID 45243408

Frequently Asked Questions

What is the IUPAC name of 1-[(5-methylthiophen-2-yl)methyl]-N-(4-pyrazol-1-ylphenyl)piperidine-2-carboxamide?
The IUPAC name of 1-[(5-methylthiophen-2-yl)methyl]-N-(4-pyrazol-1-ylphenyl)piperidine-2-carboxamide (CID 45245025) is 1-[(5-methylthiophen-2-yl)methyl]-N-(4-pyrazol-1-ylphenyl)piperidine-2-carboxamide.
What is the SMILES notation for 1-[(5-methylthiophen-2-yl)methyl]-N-(4-pyrazol-1-ylphenyl)piperidine-2-carboxamide?
The canonical SMILES for 1-[(5-methylthiophen-2-yl)methyl]-N-(4-pyrazol-1-ylphenyl)piperidine-2-carboxamide is Cc1ccc(CN2CCCCC2C(=O)Nc2ccc(-n3cccn3)cc2)s1.
What is the InChIKey of 1-[(5-methylthiophen-2-yl)methyl]-N-(4-pyrazol-1-ylphenyl)piperidine-2-carboxamide?
The InChIKey is HBWOHUXRXWCLMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4OS/c1-16-6-11-19(27-16)15-24-13-3-2-5-20(24)21(26)23-17-7-9-18(10-8-17)25-14-4-12-22-25/h4,6-12,14,20H,2-3,5,13,15H2,1H3,(H,23,26).
What are the key properties of 1-[(5-methylthiophen-2-yl)methyl]-N-(4-pyrazol-1-ylphenyl)piperidine-2-carboxamide?
1-[(5-methylthiophen-2-yl)methyl]-N-(4-pyrazol-1-ylphenyl)piperidine-2-carboxamide has a molecular weight of 380.52 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methylthiophen-2-yl)methyl]-N-(4-pyrazol-1-ylphenyl)piperidine-2-carboxamide is sourced from PubChem (CID 45245025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).