2-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide

C22H32N4O — CID 51287553

IUPAC2-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1ccc(CCC2CCN(CC(=O)Nc3c(C)nn(C)c3C)CC2)cc1
InChIInChI=1S/C22H32N4O/c1-16-5-7-19(8-6-16)9-10-20-11-13-26(14-12-20)15-21(27)23-22-17(2)24-25(4)18(22)3/h5-8,20H,9-15H2,1-4H3,(H,23,27)
InChIKeyLJUBKDHUCOFKPE-UHFFFAOYSA-N
MW368.53 g/mol
LogP3.63
Rot. Bonds6

About 2-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide

2-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide (PubChem CID 51287553) has the molecular formula C22H32N4O and a molecular weight of 368.53 g/mol. Its IUPAC name is 2-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
PubChem CID51287553
Molecular FormulaC22H32N4O
Molecular Weight368.53 g/mol
Exact Mass368.26
IUPAC Name2-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1ccc(CCC2CCN(CC(=O)Nc3c(C)nn(C)c3C)CC2)cc1
InChIInChI=1S/C22H32N4O/c1-16-5-7-19(8-6-16)9-10-20-11-13-26(14-12-20)15-21(27)23-22-17(2)24-25(4)18(22)3/h5-8,20H,9-15H2,1-4H3,(H,23,27)
InChIKeyLJUBKDHUCOFKPE-UHFFFAOYSA-N
XLogP3.63
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.53
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(methylaminomethyl)piperidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 63248998
2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 115648416
2-[3-(methylaminomethyl)pyrrolidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 63267860
2-(azocan-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 8679994
N-(cyclopropylcarbamoyl)-2-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]acetamide
CID 33024172
2-(4-phenylpiperazin-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 26551937
2-[4-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 34200972
N-[(3-fluoro-4-methylphenyl)methyl]-1-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]piperidine-4-carboxamide
CID 60503977
2-(3-aminopiperidin-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 61295721
N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-(4-hydroxypiperidin-1-yl)acetamide
CID 34134610
2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 11931992
N-(2-ethylphenyl)-2-[4-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]piperazin-1-yl]acetamide
CID 8795402

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The IUPAC name of 2-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide (CID 51287553) is 2-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide is Cc1ccc(CCC2CCN(CC(=O)Nc3c(C)nn(C)c3C)CC2)cc1.
What is the InChIKey of 2-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The InChIKey is LJUBKDHUCOFKPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O/c1-16-5-7-19(8-6-16)9-10-20-11-13-26(14-12-20)15-21(27)23-22-17(2)24-25(4)18(22)3/h5-8,20H,9-15H2,1-4H3,(H,23,27).
What are the key properties of 2-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
2-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide has a molecular weight of 368.53 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 51287553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).