N-[1-[2-(2,3-dimethylanilino)-2-oxoethyl]piperidin-4-yl]cyclohexanecarboxamide

C22H33N3O2 — CID 3220746

IUPACN-[1-[2-(2,3-dimethylanilino)-2-oxoethyl]piperidin-4-yl]cyclohexanecarboxamide
SMILESCc1cccc(NC(=O)CN2CCC(NC(=O)C3CCCCC3)CC2)c1C
InChIInChI=1S/C22H33N3O2/c1-16-7-6-10-20(17(16)2)24-21(26)15-25-13-11-19(12-14-25)23-22(27)18-8-4-3-5-9-18/h6-7,10,18-19H,3-5,8-9,11-15H2,1-2H3,(H,23,27)(H,24,26)
InChIKeyYWEFJPVWVSINJR-UHFFFAOYSA-N
MW371.53 g/mol
LogP3.40
Rot. Bonds5

About N-[1-[2-(2,3-dimethylanilino)-2-oxoethyl]piperidin-4-yl]cyclohexanecarboxamide

N-[1-[2-(2,3-dimethylanilino)-2-oxoethyl]piperidin-4-yl]cyclohexanecarboxamide (PubChem CID 3220746) has the molecular formula C22H33N3O2 and a molecular weight of 371.53 g/mol. Its IUPAC name is N-[1-[2-(2,3-dimethylanilino)-2-oxoethyl]piperidin-4-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[1-[2-(2,3-dimethylanilino)-2-oxoethyl]piperidin-4-yl]cyclohexanecarboxamide
PubChem CID3220746
Molecular FormulaC22H33N3O2
Molecular Weight371.53 g/mol
Exact Mass371.26
IUPAC NameN-[1-[2-(2,3-dimethylanilino)-2-oxoethyl]piperidin-4-yl]cyclohexanecarboxamide
SMILESCc1cccc(NC(=O)CN2CCC(NC(=O)C3CCCCC3)CC2)c1C
InChIInChI=1S/C22H33N3O2/c1-16-7-6-10-20(17(16)2)24-21(26)15-25-13-11-19(12-14-25)23-22(27)18-8-4-3-5-9-18/h6-7,10,18-19H,3-5,8-9,11-15H2,1-2H3,(H,23,27)(H,24,26)
InChIKeyYWEFJPVWVSINJR-UHFFFAOYSA-N
XLogP3.40
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dimethylphenyl)-2-[4-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119923569
N-[1-[(2,3-dimethylphenyl)carbamothioyl]piperidin-4-yl]cyclohexanecarboxamide
CID 3218727
2-[4-(azepan-1-ylmethyl)piperidin-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 55702952
1-N-cyclohexyl-4-N-(2,3-dimethylphenyl)cyclohexane-1,4-dicarboxamide
CID 109146152
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]cyclohexanecarboxamide
CID 3220728
N-(2,3-dimethylphenyl)-2-[3-(methylamino)pyrrolidin-1-yl]acetamide
CID 81492808
N-(2,3-dimethylphenyl)-2-[(3R)-3-hydroxypyrrolidin-1-yl]acetamide
CID 78963336
(2S)-N-cyclopropyl-2-[4-[2-(2,3-dimethylanilino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 8711915
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]cyclobutanecarboxamide
CID 16589812
N-(2,3-dimethylphenyl)-2-(3-fluoropyrrolidin-1-yl)acetamide
CID 171327633
N-(2,3-dimethylphenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide
CID 62546867
N-[1-[2-(2,3-dimethylanilino)-2-oxoethyl]piperidin-4-yl]-3,4,5-trimethoxybenzamide
CID 3220749

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(2,3-dimethylanilino)-2-oxoethyl]piperidin-4-yl]cyclohexanecarboxamide?
The IUPAC name of N-[1-[2-(2,3-dimethylanilino)-2-oxoethyl]piperidin-4-yl]cyclohexanecarboxamide (CID 3220746) is N-[1-[2-(2,3-dimethylanilino)-2-oxoethyl]piperidin-4-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[1-[2-(2,3-dimethylanilino)-2-oxoethyl]piperidin-4-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[1-[2-(2,3-dimethylanilino)-2-oxoethyl]piperidin-4-yl]cyclohexanecarboxamide is Cc1cccc(NC(=O)CN2CCC(NC(=O)C3CCCCC3)CC2)c1C.
What is the InChIKey of N-[1-[2-(2,3-dimethylanilino)-2-oxoethyl]piperidin-4-yl]cyclohexanecarboxamide?
The InChIKey is YWEFJPVWVSINJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O2/c1-16-7-6-10-20(17(16)2)24-21(26)15-25-13-11-19(12-14-25)23-22(27)18-8-4-3-5-9-18/h6-7,10,18-19H,3-5,8-9,11-15H2,1-2H3,(H,23,27)(H,24,26).
What are the key properties of N-[1-[2-(2,3-dimethylanilino)-2-oxoethyl]piperidin-4-yl]cyclohexanecarboxamide?
N-[1-[2-(2,3-dimethylanilino)-2-oxoethyl]piperidin-4-yl]cyclohexanecarboxamide has a molecular weight of 371.53 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(2,3-dimethylanilino)-2-oxoethyl]piperidin-4-yl]cyclohexanecarboxamide is sourced from PubChem (CID 3220746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).