4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide

C27H32N4O3 — CID 55455859

IUPAC4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
SMILESCC1CCCC(C)N1C(=O)COc1ccc(C(=O)NCc2ccccc2Cn2cccn2)cc1
InChIInChI=1S/C27H32N4O3/c1-20-7-5-8-21(2)31(20)26(32)19-34-25-13-11-22(12-14-25)27(33)28-17-23-9-3-4-10-24(23)18-30-16-6-15-29-30/h3-4,6,9-16,20-21H,5,7-8,17-19H2,1-2H3,(H,28,33)
InChIKeyKZTCKBTZZRQKKL-UHFFFAOYSA-N
MW460.58 g/mol
LogP4.03
Rot. Bonds8

About 4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide

4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide (PubChem CID 55455859) has the molecular formula C27H32N4O3 and a molecular weight of 460.58 g/mol. Its IUPAC name is 4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
PubChem CID55455859
Molecular FormulaC27H32N4O3
Molecular Weight460.58 g/mol
Exact Mass460.25
IUPAC Name4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
SMILESCC1CCCC(C)N1C(=O)COc1ccc(C(=O)NCc2ccccc2Cn2cccn2)cc1
InChIInChI=1S/C27H32N4O3/c1-20-7-5-8-21(2)31(20)26(32)19-34-25-13-11-22(12-14-25)27(33)28-17-23-9-3-4-10-24(23)18-30-16-6-15-29-30/h3-4,6,9-16,20-21H,5,7-8,17-19H2,1-2H3,(H,28,33)
InChIKeyKZTCKBTZZRQKKL-UHFFFAOYSA-N
XLogP4.03
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.58
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
CID 17483548
4-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]-N-pyridin-4-ylbenzamide
CID 25352382
N-[2-(dimethylamino)-2-oxoethyl]-4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzamide
CID 55378182
4-(1,3-dithiolan-2-yl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
CID 24560815
N-(2-aminophenyl)-4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzamide
CID 119421973
N-[(2-cyclopentyloxyphenyl)methyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 55810206
N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzamide
CID 55801206
4-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
CID 24617459
N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]cyclobutanecarboxamide
CID 35955520
N-[3-(aminomethyl)pentan-3-yl]-4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzamide
CID 119569045
methyl 2-[[4-[[4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzoyl]amino]benzoyl]amino]acetate
CID 55396774
3-(2-methylpropoxy)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
CID 35955984

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide?
The IUPAC name of 4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide (CID 55455859) is 4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide?
The canonical SMILES for 4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide is CC1CCCC(C)N1C(=O)COc1ccc(C(=O)NCc2ccccc2Cn2cccn2)cc1.
What is the InChIKey of 4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide?
The InChIKey is KZTCKBTZZRQKKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O3/c1-20-7-5-8-21(2)31(20)26(32)19-34-25-13-11-22(12-14-25)27(33)28-17-23-9-3-4-10-24(23)18-30-16-6-15-29-30/h3-4,6,9-16,20-21H,5,7-8,17-19H2,1-2H3,(H,28,33).
What are the key properties of 4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide?
4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide has a molecular weight of 460.58 g/mol, XLogP of 4.03, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 55455859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).