N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-(4-phenoxypiperidin-1-yl)acetamide

C21H30N4O2 — CID 47544876

IUPACN-(2-tert-butyl-5-methylpyrazol-3-yl)-2-(4-phenoxypiperidin-1-yl)acetamide
SMILESCc1cc(NC(=O)CN2CCC(Oc3ccccc3)CC2)n(C(C)(C)C)n1
InChIInChI=1S/C21H30N4O2/c1-16-14-19(25(23-16)21(2,3)4)22-20(26)15-24-12-10-18(11-13-24)27-17-8-6-5-7-9-17/h5-9,14,18H,10-13,15H2,1-4H3,(H,22,26)
InChIKeyDHVOUSCKCMABLE-UHFFFAOYSA-N
MW370.50 g/mol
LogP3.43
Rot. Bonds5

About N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-(4-phenoxypiperidin-1-yl)acetamide

N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-(4-phenoxypiperidin-1-yl)acetamide (PubChem CID 47544876) has the molecular formula C21H30N4O2 and a molecular weight of 370.50 g/mol. Its IUPAC name is N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-(4-phenoxypiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-tert-butyl-5-methylpyrazol-3-yl)-2-(4-phenoxypiperidin-1-yl)acetamide
PubChem CID47544876
Molecular FormulaC21H30N4O2
Molecular Weight370.50 g/mol
Exact Mass370.24
IUPAC NameN-(2-tert-butyl-5-methylpyrazol-3-yl)-2-(4-phenoxypiperidin-1-yl)acetamide
SMILESCc1cc(NC(=O)CN2CCC(Oc3ccccc3)CC2)n(C(C)(C)C)n1
InChIInChI=1S/C21H30N4O2/c1-16-14-19(25(23-16)21(2,3)4)22-20(26)15-24-12-10-18(11-13-24)27-17-8-6-5-7-9-17/h5-9,14,18H,10-13,15H2,1-4H3,(H,22,26)
InChIKeyDHVOUSCKCMABLE-UHFFFAOYSA-N
XLogP3.43
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(2-tert-butyl-5-methylpyrazol-3-yl)acetamide
CID 120762117
N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]acetamide
CID 110019824
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(2-tert-butyl-5-methylpyrazol-3-yl)acetamide;dihydrochloride
CID 120762116
2-(4-phenoxypiperidin-1-yl)acetamide
CID 47395345
2-(4-aminopiperidin-1-yl)-N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 79332492
N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]acetamide
CID 60504087
N-(1,5-dimethylpyrazol-3-yl)-2-[4-(3-fluorophenoxy)piperidin-1-yl]acetamide;hydrochloride
CID 171667424
N-(2,5-dimethylpyrazol-3-yl)-2-(4-methylpiperidin-1-yl)acetamide
CID 36800668
ethyl 1-[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl]piperidine-4-carboxylate
CID 36800218
2-(4-benzylpiperazin-1-yl)-N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 36845381
N-(2,5-dimethylpyrazol-3-yl)-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide
CID 32660135
N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide
CID 111123048

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-(4-phenoxypiperidin-1-yl)acetamide?
The IUPAC name of N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-(4-phenoxypiperidin-1-yl)acetamide (CID 47544876) is N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-(4-phenoxypiperidin-1-yl)acetamide.
What is the SMILES notation for N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-(4-phenoxypiperidin-1-yl)acetamide?
The canonical SMILES for N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-(4-phenoxypiperidin-1-yl)acetamide is Cc1cc(NC(=O)CN2CCC(Oc3ccccc3)CC2)n(C(C)(C)C)n1.
What is the InChIKey of N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-(4-phenoxypiperidin-1-yl)acetamide?
The InChIKey is DHVOUSCKCMABLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O2/c1-16-14-19(25(23-16)21(2,3)4)22-20(26)15-24-12-10-18(11-13-24)27-17-8-6-5-7-9-17/h5-9,14,18H,10-13,15H2,1-4H3,(H,22,26).
What are the key properties of N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-(4-phenoxypiperidin-1-yl)acetamide?
N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-(4-phenoxypiperidin-1-yl)acetamide has a molecular weight of 370.50 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-(4-phenoxypiperidin-1-yl)acetamide is sourced from PubChem (CID 47544876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).