2-(1-benzylpiperidin-4-yl)-N-(5-methyl-2-propylpyrazol-3-yl)acetamide

C21H30N4O — CID 134706145

IUPAC2-(1-benzylpiperidin-4-yl)-N-(5-methyl-2-propylpyrazol-3-yl)acetamide
SMILESCCCn1nc(C)cc1NC(=O)CC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C21H30N4O/c1-3-11-25-20(14-17(2)23-25)22-21(26)15-18-9-12-24(13-10-18)16-19-7-5-4-6-8-19/h4-8,14,18H,3,9-13,15-16H2,1-2H3,(H,22,26)
InChIKeyBOUVOJHXLDQZJG-UHFFFAOYSA-N
MW354.50 g/mol
LogP3.84
Rot. Bonds7

About 2-(1-benzylpiperidin-4-yl)-N-(5-methyl-2-propylpyrazol-3-yl)acetamide

2-(1-benzylpiperidin-4-yl)-N-(5-methyl-2-propylpyrazol-3-yl)acetamide (PubChem CID 134706145) has the molecular formula C21H30N4O and a molecular weight of 354.50 g/mol. Its IUPAC name is 2-(1-benzylpiperidin-4-yl)-N-(5-methyl-2-propylpyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(1-benzylpiperidin-4-yl)-N-(5-methyl-2-propylpyrazol-3-yl)acetamide
PubChem CID134706145
Molecular FormulaC21H30N4O
Molecular Weight354.50 g/mol
Exact Mass354.24
IUPAC Name2-(1-benzylpiperidin-4-yl)-N-(5-methyl-2-propylpyrazol-3-yl)acetamide
SMILESCCCn1nc(C)cc1NC(=O)CC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C21H30N4O/c1-3-11-25-20(14-17(2)23-25)22-21(26)15-18-9-12-24(13-10-18)16-19-7-5-4-6-8-19/h4-8,14,18H,3,9-13,15-16H2,1-2H3,(H,22,26)
InChIKeyBOUVOJHXLDQZJG-UHFFFAOYSA-N
XLogP3.84
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-benzylpiperidin-4-yl)-N-(4-methyl-1-propylpyrazol-5-yl)acetamide
CID 134708490
2-(4-benzylpiperazin-1-yl)-N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 36845381
2-(1-benzylpiperidin-4-yl)-N-[(1R)-1-(1-methylpyrazol-4-yl)propyl]acetamide
CID 124752350
N-(2-benzyl-5-methylpyrazol-3-yl)-2-thiomorpholin-3-ylacetamide
CID 119936075
N-(2-benzyl-5-methylpyrazol-3-yl)-2-(4-bromophenyl)acetamide
CID 35521241
methane;methyl 2-(1-benzylpiperidin-4-yl)acetate
CID 78582433
2-(1-benzylpiperidin-4-yl)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]acetamide
CID 131948813
1-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]-3-(2-propylpyrazol-3-yl)urea
CID 99839457
1-[(2-benzyl-5-methylpyrazol-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122075426
2-[1-[(3-methylphenyl)methyl]piperidin-4-yl]acetohydrazide
CID 17221703
5-(1-benzylpiperidin-4-yl)-1-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)pentane-1,4-dione
CID 159946101
3-amino-N-(2-benzyl-5-methylpyrazol-3-yl)cyclopentane-1-carboxamide;hydrochloride
CID 119704830

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzylpiperidin-4-yl)-N-(5-methyl-2-propylpyrazol-3-yl)acetamide?
The IUPAC name of 2-(1-benzylpiperidin-4-yl)-N-(5-methyl-2-propylpyrazol-3-yl)acetamide (CID 134706145) is 2-(1-benzylpiperidin-4-yl)-N-(5-methyl-2-propylpyrazol-3-yl)acetamide.
What is the SMILES notation for 2-(1-benzylpiperidin-4-yl)-N-(5-methyl-2-propylpyrazol-3-yl)acetamide?
The canonical SMILES for 2-(1-benzylpiperidin-4-yl)-N-(5-methyl-2-propylpyrazol-3-yl)acetamide is CCCn1nc(C)cc1NC(=O)CC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 2-(1-benzylpiperidin-4-yl)-N-(5-methyl-2-propylpyrazol-3-yl)acetamide?
The InChIKey is BOUVOJHXLDQZJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O/c1-3-11-25-20(14-17(2)23-25)22-21(26)15-18-9-12-24(13-10-18)16-19-7-5-4-6-8-19/h4-8,14,18H,3,9-13,15-16H2,1-2H3,(H,22,26).
What are the key properties of 2-(1-benzylpiperidin-4-yl)-N-(5-methyl-2-propylpyrazol-3-yl)acetamide?
2-(1-benzylpiperidin-4-yl)-N-(5-methyl-2-propylpyrazol-3-yl)acetamide has a molecular weight of 354.50 g/mol, XLogP of 3.84, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzylpiperidin-4-yl)-N-(5-methyl-2-propylpyrazol-3-yl)acetamide is sourced from PubChem (CID 134706145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).