3-benzamido-4-methyl-N-(2-piperidin-1-ylethyl)benzamide

C22H27N3O2 — CID 55723788

IUPAC3-benzamido-4-methyl-N-(2-piperidin-1-ylethyl)benzamide
SMILESCc1ccc(C(=O)NCCN2CCCCC2)cc1NC(=O)c1ccccc1
InChIInChI=1S/C22H27N3O2/c1-17-10-11-19(21(26)23-12-15-25-13-6-3-7-14-25)16-20(17)24-22(27)18-8-4-2-5-9-18/h2,4-5,8-11,16H,3,6-7,12-15H2,1H3,(H,23,26)(H,24,27)
InChIKeyOYPUBCYNBHLPCZ-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.46
Rot. Bonds6

About 3-benzamido-4-methyl-N-(2-piperidin-1-ylethyl)benzamide

3-benzamido-4-methyl-N-(2-piperidin-1-ylethyl)benzamide (PubChem CID 55723788) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 3-benzamido-4-methyl-N-(2-piperidin-1-ylethyl)benzamide.

Molecular Properties

Compound Name3-benzamido-4-methyl-N-(2-piperidin-1-ylethyl)benzamide
PubChem CID55723788
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name3-benzamido-4-methyl-N-(2-piperidin-1-ylethyl)benzamide
SMILESCc1ccc(C(=O)NCCN2CCCCC2)cc1NC(=O)c1ccccc1
InChIInChI=1S/C22H27N3O2/c1-17-10-11-19(21(26)23-12-15-25-13-6-3-7-14-25)16-20(17)24-22(27)18-8-4-2-5-9-18/h2,4-5,8-11,16H,3,6-7,12-15H2,1H3,(H,23,26)(H,24,27)
InChIKeyOYPUBCYNBHLPCZ-UHFFFAOYSA-N
XLogP3.46
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-benzamido-4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 17226356
3-benzamido-4-methyl-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119447939
N-[2-methyl-5-[4-(2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]phenyl]benzamide
CID 112820366
3,4-dimethyl-N-(2-piperidin-1-ylethyl)benzamide
CID 25237097
3-methyl-N-(2-piperidin-1-ylethyl)benzamide;hydrochloride
CID 126477808
3-bromo-4-methyl-N-(2-piperidin-1-ylethyl)benzamide
CID 79467099
N-[2-(azepan-1-yl)ethyl]-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 37295302
4-methyl-3-(phenylcarbamoylamino)-N-(2-piperazin-1-ylethyl)benzamide
CID 119448778
3-benzamido-4-methyl-N-pentylbenzamide
CID 17226355
4-hydrazinyl-3-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 63212242
4-bromo-3-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 18367611
3-iodo-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 60682573

Frequently Asked Questions

What is the IUPAC name of 3-benzamido-4-methyl-N-(2-piperidin-1-ylethyl)benzamide?
The IUPAC name of 3-benzamido-4-methyl-N-(2-piperidin-1-ylethyl)benzamide (CID 55723788) is 3-benzamido-4-methyl-N-(2-piperidin-1-ylethyl)benzamide.
What is the SMILES notation for 3-benzamido-4-methyl-N-(2-piperidin-1-ylethyl)benzamide?
The canonical SMILES for 3-benzamido-4-methyl-N-(2-piperidin-1-ylethyl)benzamide is Cc1ccc(C(=O)NCCN2CCCCC2)cc1NC(=O)c1ccccc1.
What is the InChIKey of 3-benzamido-4-methyl-N-(2-piperidin-1-ylethyl)benzamide?
The InChIKey is OYPUBCYNBHLPCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-17-10-11-19(21(26)23-12-15-25-13-6-3-7-14-25)16-20(17)24-22(27)18-8-4-2-5-9-18/h2,4-5,8-11,16H,3,6-7,12-15H2,1H3,(H,23,26)(H,24,27).
What are the key properties of 3-benzamido-4-methyl-N-(2-piperidin-1-ylethyl)benzamide?
3-benzamido-4-methyl-N-(2-piperidin-1-ylethyl)benzamide has a molecular weight of 365.48 g/mol, XLogP of 3.46, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzamido-4-methyl-N-(2-piperidin-1-ylethyl)benzamide is sourced from PubChem (CID 55723788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).