N-(1,3-dimethylpyrazol-4-yl)-2-[1-(2-phenylacetyl)piperidin-4-yl]acetamide

C20H26N4O2 — CID 92634156

IUPACN-(1,3-dimethylpyrazol-4-yl)-2-[1-(2-phenylacetyl)piperidin-4-yl]acetamide
SMILESCc1nn(C)cc1NC(=O)CC1CCN(C(=O)Cc2ccccc2)CC1
InChIInChI=1S/C20H26N4O2/c1-15-18(14-23(2)22-15)21-19(25)12-17-8-10-24(11-9-17)20(26)13-16-6-4-3-5-7-16/h3-7,14,17H,8-13H2,1-2H3,(H,21,25)
InChIKeyUPJVYLGDOMYRCY-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.54
Rot. Bonds5

About N-(1,3-dimethylpyrazol-4-yl)-2-[1-(2-phenylacetyl)piperidin-4-yl]acetamide

N-(1,3-dimethylpyrazol-4-yl)-2-[1-(2-phenylacetyl)piperidin-4-yl]acetamide (PubChem CID 92634156) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-(1,3-dimethylpyrazol-4-yl)-2-[1-(2-phenylacetyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-(1,3-dimethylpyrazol-4-yl)-2-[1-(2-phenylacetyl)piperidin-4-yl]acetamide
PubChem CID92634156
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC NameN-(1,3-dimethylpyrazol-4-yl)-2-[1-(2-phenylacetyl)piperidin-4-yl]acetamide
SMILESCc1nn(C)cc1NC(=O)CC1CCN(C(=O)Cc2ccccc2)CC1
InChIInChI=1S/C20H26N4O2/c1-15-18(14-23(2)22-15)21-19(25)12-17-8-10-24(11-9-17)20(26)13-16-6-4-3-5-7-16/h3-7,14,17H,8-13H2,1-2H3,(H,21,25)
InChIKeyUPJVYLGDOMYRCY-UHFFFAOYSA-N
XLogP2.54
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzoyl-N-phenyl-1H-pyrazole-3-carboxamide
CID 716930
Triazole Ligand, 6a
CID 24881257
N-{4-[(3-methyl-1H-pyrazol-1-yl)carbonyl]phenyl}acetamide
CID 833517
Triazole Ligand, 10a
CID 24881330
Triazole Ligand, 14a
CID 24881402
Triazole Ligand, 12a
CID 24881407
N-[2-(hydroxyamino)-2-oxo-1-(4-pyrazol-1-ylphenyl)ethyl]-2,2-dimethylpropanamide
CID 101874839
N-[2-(hydroxyamino)-2-oxo-1-(4-pyrazol-1-ylphenyl)ethyl]propanamide
CID 118723776
N-[2-(hydroxyamino)-2-oxo-1-(4-pyrazol-1-ylphenyl)ethyl]-2-methyl-propanamide
CID 118723777
(2S)-2-acetamido-N-[(1-benzylpiperidin-4-yl)methyl]-3-(4-phenyltriazol-1-yl)propanamide
CID 155531034
4-(3,5-dimethyl-1H-pyrazol-1-yl)-N-(3-pyridinyl)benzamide
CID 826943
N-{4-[(3-methyl-1H-pyrazol-1-yl)carbonyl]phenyl}butanamide
CID 833520

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethylpyrazol-4-yl)-2-[1-(2-phenylacetyl)piperidin-4-yl]acetamide?
The IUPAC name of N-(1,3-dimethylpyrazol-4-yl)-2-[1-(2-phenylacetyl)piperidin-4-yl]acetamide (CID 92634156) is N-(1,3-dimethylpyrazol-4-yl)-2-[1-(2-phenylacetyl)piperidin-4-yl]acetamide.
What is the SMILES notation for N-(1,3-dimethylpyrazol-4-yl)-2-[1-(2-phenylacetyl)piperidin-4-yl]acetamide?
The canonical SMILES for N-(1,3-dimethylpyrazol-4-yl)-2-[1-(2-phenylacetyl)piperidin-4-yl]acetamide is Cc1nn(C)cc1NC(=O)CC1CCN(C(=O)Cc2ccccc2)CC1.
What is the InChIKey of N-(1,3-dimethylpyrazol-4-yl)-2-[1-(2-phenylacetyl)piperidin-4-yl]acetamide?
The InChIKey is UPJVYLGDOMYRCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-15-18(14-23(2)22-15)21-19(25)12-17-8-10-24(11-9-17)20(26)13-16-6-4-3-5-7-16/h3-7,14,17H,8-13H2,1-2H3,(H,21,25).
What are the key properties of N-(1,3-dimethylpyrazol-4-yl)-2-[1-(2-phenylacetyl)piperidin-4-yl]acetamide?
N-(1,3-dimethylpyrazol-4-yl)-2-[1-(2-phenylacetyl)piperidin-4-yl]acetamide has a molecular weight of 354.45 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethylpyrazol-4-yl)-2-[1-(2-phenylacetyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 92634156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).