2-[2-oxo-2-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethyl]benzamide

C18H22N4O2 — CID 167897213

IUPAC2-[2-oxo-2-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethyl]benzamide
SMILESNC(=O)c1ccccc1CC(=O)N1CCCCC1Cn1cccn1
InChIInChI=1S/C18H22N4O2/c19-18(24)16-8-2-1-6-14(16)12-17(23)22-11-4-3-7-15(22)13-21-10-5-9-20-21/h1-2,5-6,8-10,15H,3-4,7,11-13H2,(H2,19,24)
InChIKeyKIJCPQNRWANNTR-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.61
Rot. Bonds5

About 2-[2-oxo-2-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethyl]benzamide

2-[2-oxo-2-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethyl]benzamide (PubChem CID 167897213) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 2-[2-oxo-2-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethyl]benzamide.

Molecular Properties

Compound Name2-[2-oxo-2-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethyl]benzamide
PubChem CID167897213
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name2-[2-oxo-2-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethyl]benzamide
SMILESNC(=O)c1ccccc1CC(=O)N1CCCCC1Cn1cccn1
InChIInChI=1S/C18H22N4O2/c19-18(24)16-8-2-1-6-14(16)12-17(23)22-11-4-3-7-15(22)13-21-10-5-9-20-21/h1-2,5-6,8-10,15H,3-4,7,11-13H2,(H2,19,24)
InChIKeyKIJCPQNRWANNTR-UHFFFAOYSA-N
XLogP1.61
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromophenyl)-1-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanone
CID 95325536
2-[cyclopropyl(methyl)amino]-1-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone
CID 95607603
2-[(1S)-cyclopent-2-en-1-yl]-1-[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone
CID 95602617
2-[(1S)-cyclopent-2-en-1-yl]-1-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone
CID 95602618
2-methylsulfanyl-1-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanone
CID 56779161
2-(2,3-dihydro-1H-inden-5-yl)-1-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanone
CID 95603521
2-(2-methyl-1,3-thiazol-4-yl)-1-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone
CID 56778842
1-[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
CID 95346968
4-[2-oxo-2-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethoxy]benzamide
CID 56779308
[(2S)-1-ethylpiperidin-2-yl]-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95603872
[(1R)-2,3-dihydro-1H-inden-1-yl]-[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 95323921
(2-piperidin-1-yl-3-pyridinyl)-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95603771

Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-2-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethyl]benzamide?
The IUPAC name of 2-[2-oxo-2-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethyl]benzamide (CID 167897213) is 2-[2-oxo-2-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethyl]benzamide.
What is the SMILES notation for 2-[2-oxo-2-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethyl]benzamide?
The canonical SMILES for 2-[2-oxo-2-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethyl]benzamide is NC(=O)c1ccccc1CC(=O)N1CCCCC1Cn1cccn1.
What is the InChIKey of 2-[2-oxo-2-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethyl]benzamide?
The InChIKey is KIJCPQNRWANNTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c19-18(24)16-8-2-1-6-14(16)12-17(23)22-11-4-3-7-15(22)13-21-10-5-9-20-21/h1-2,5-6,8-10,15H,3-4,7,11-13H2,(H2,19,24).
What are the key properties of 2-[2-oxo-2-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethyl]benzamide?
2-[2-oxo-2-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethyl]benzamide has a molecular weight of 326.40 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-2-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethyl]benzamide is sourced from PubChem (CID 167897213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).