N-benzyl-N-methyl-2-[4-(1H-pyrazol-4-yl)piperidin-1-yl]acetamide

C18H24N4O — CID 86773430

IUPACN-benzyl-N-methyl-2-[4-(1H-pyrazol-4-yl)piperidin-1-yl]acetamide
SMILESCN(Cc1ccccc1)C(=O)CN1CCC(c2cn[nH]c2)CC1
InChIInChI=1S/C18H24N4O/c1-21(13-15-5-3-2-4-6-15)18(23)14-22-9-7-16(8-10-22)17-11-19-20-12-17/h2-6,11-12,16H,7-10,13-14H2,1H3,(H,19,20)
InChIKeyYYJGIACMAXIJQE-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.25
Rot. Bonds5

About N-benzyl-N-methyl-2-[4-(1H-pyrazol-4-yl)piperidin-1-yl]acetamide

N-benzyl-N-methyl-2-[4-(1H-pyrazol-4-yl)piperidin-1-yl]acetamide (PubChem CID 86773430) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is N-benzyl-N-methyl-2-[4-(1H-pyrazol-4-yl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-2-[4-(1H-pyrazol-4-yl)piperidin-1-yl]acetamide
PubChem CID86773430
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC NameN-benzyl-N-methyl-2-[4-(1H-pyrazol-4-yl)piperidin-1-yl]acetamide
SMILESCN(Cc1ccccc1)C(=O)CN1CCC(c2cn[nH]c2)CC1
InChIInChI=1S/C18H24N4O/c1-21(13-15-5-3-2-4-6-15)18(23)14-22-9-7-16(8-10-22)17-11-19-20-12-17/h2-6,11-12,16H,7-10,13-14H2,1H3,(H,19,20)
InChIKeyYYJGIACMAXIJQE-UHFFFAOYSA-N
XLogP2.25
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-N-ethyl-2-[4-(1H-pyrazol-4-yl)piperidin-1-yl]acetamide
CID 86773464
N-benzyl-N-methyl-2-[3-(methylamino)pyrrolidin-1-yl]acetamide;hydrochloride
CID 119905657
2-[3-(aminomethyl)pyrrolidin-1-yl]-N-benzyl-N-methylacetamide;hydrochloride
CID 119917902
N-benzyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-methylacetamide
CID 60645191
N-benzyl-2-(3,5-dimethylpiperazin-1-yl)-N-methylacetamide
CID 63873691
N-benzyl-N-methyl-2-(3-methylpiperidin-1-yl)acetamide
CID 108997429
2-(4-amino-3-ethylpiperidin-1-yl)-N-benzyl-N-methylacetamide
CID 81452559
1-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-2-[4-(1H-pyrazol-4-yl)piperidin-1-yl]ethanone
CID 95154601
N-benzyl-N-ethyl-2-(4-hydroxypiperidin-1-yl)acetamide
CID 60674374
N-benzyl-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-N-methylacetamide
CID 102787693
N-benzyl-N-ethyl-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride
CID 119922495
N-methyl-2-(3-phenylpyrrolidin-1-yl)-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)acetamide
CID 91786408

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-2-[4-(1H-pyrazol-4-yl)piperidin-1-yl]acetamide?
The IUPAC name of N-benzyl-N-methyl-2-[4-(1H-pyrazol-4-yl)piperidin-1-yl]acetamide (CID 86773430) is N-benzyl-N-methyl-2-[4-(1H-pyrazol-4-yl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-benzyl-N-methyl-2-[4-(1H-pyrazol-4-yl)piperidin-1-yl]acetamide?
The canonical SMILES for N-benzyl-N-methyl-2-[4-(1H-pyrazol-4-yl)piperidin-1-yl]acetamide is CN(Cc1ccccc1)C(=O)CN1CCC(c2cn[nH]c2)CC1.
What is the InChIKey of N-benzyl-N-methyl-2-[4-(1H-pyrazol-4-yl)piperidin-1-yl]acetamide?
The InChIKey is YYJGIACMAXIJQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-21(13-15-5-3-2-4-6-15)18(23)14-22-9-7-16(8-10-22)17-11-19-20-12-17/h2-6,11-12,16H,7-10,13-14H2,1H3,(H,19,20).
What are the key properties of N-benzyl-N-methyl-2-[4-(1H-pyrazol-4-yl)piperidin-1-yl]acetamide?
N-benzyl-N-methyl-2-[4-(1H-pyrazol-4-yl)piperidin-1-yl]acetamide has a molecular weight of 312.42 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-2-[4-(1H-pyrazol-4-yl)piperidin-1-yl]acetamide is sourced from PubChem (CID 86773430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).