N-[(1-methylpiperidin-4-yl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide

C18H24N4O — CID 167828406

IUPACN-[(1-methylpiperidin-4-yl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide
SMILESCN1CCC(CNC(=O)Cc2cnn(-c3ccccc3)c2)CC1
InChIInChI=1S/C18H24N4O/c1-21-9-7-15(8-10-21)12-19-18(23)11-16-13-20-22(14-16)17-5-3-2-4-6-17/h2-6,13-15H,7-12H2,1H3,(H,19,23)
InChIKeyBWGUJFGCGBJGTQ-UHFFFAOYSA-N
MW312.42 g/mol
LogP1.87
Rot. Bonds5

About N-[(1-methylpiperidin-4-yl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide

N-[(1-methylpiperidin-4-yl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide (PubChem CID 167828406) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is N-[(1-methylpiperidin-4-yl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[(1-methylpiperidin-4-yl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide
PubChem CID167828406
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC NameN-[(1-methylpiperidin-4-yl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide
SMILESCN1CCC(CNC(=O)Cc2cnn(-c3ccccc3)c2)CC1
InChIInChI=1S/C18H24N4O/c1-21-9-7-15(8-10-21)12-19-18(23)11-16-13-20-22(14-16)17-5-3-2-4-6-17/h2-6,13-15H,7-12H2,1H3,(H,19,23)
InChIKeyBWGUJFGCGBJGTQ-UHFFFAOYSA-N
XLogP1.87
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-ethylcyclohexyl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 167772668
methyl 2-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]acetate
CID 47141661
2-(1-phenylpyrazol-4-yl)-N-propylacetamide
CID 18146665
N-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 94115482
N-[(1S)-1-cyclopropylethyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 52528125
N-[(3-aminocyclobutyl)methyl]-3-(1-phenylpyrazol-4-yl)propanamide
CID 167759352
1-(2,4-dimethylpiperazin-1-yl)-2-(1-phenylpyrazol-4-yl)ethanone
CID 71877362
3-(hydroxymethyl)-N-[(1-phenylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide
CID 111443610
N'-acetyl-2-(1-phenylpyrazol-4-yl)acetohydrazide
CID 30905613
N-tert-butyl-2-(1-phenylpyrazol-4-yl)acetamide
CID 47141475
methyl 4-[[[2-(1-phenylpyrazol-4-yl)acetyl]amino]methyl]benzoate
CID 18152301
N-[2-(3-cyclopropyl-1,2,4-triazol-4-yl)ethyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 86974365

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpiperidin-4-yl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide?
The IUPAC name of N-[(1-methylpiperidin-4-yl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide (CID 167828406) is N-[(1-methylpiperidin-4-yl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide.
What is the SMILES notation for N-[(1-methylpiperidin-4-yl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide?
The canonical SMILES for N-[(1-methylpiperidin-4-yl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide is CN1CCC(CNC(=O)Cc2cnn(-c3ccccc3)c2)CC1.
What is the InChIKey of N-[(1-methylpiperidin-4-yl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide?
The InChIKey is BWGUJFGCGBJGTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-21-9-7-15(8-10-21)12-19-18(23)11-16-13-20-22(14-16)17-5-3-2-4-6-17/h2-6,13-15H,7-12H2,1H3,(H,19,23).
What are the key properties of N-[(1-methylpiperidin-4-yl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide?
N-[(1-methylpiperidin-4-yl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide has a molecular weight of 312.42 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpiperidin-4-yl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide is sourced from PubChem (CID 167828406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).