N-[(2,3-dimethylphenyl)carbamoyl]-2-(4-phenylpiperidin-1-yl)acetamide

C22H27N3O2 — CID 46643091

IUPACN-[(2,3-dimethylphenyl)carbamoyl]-2-(4-phenylpiperidin-1-yl)acetamide
SMILESCc1cccc(NC(=O)NC(=O)CN2CCC(c3ccccc3)CC2)c1C
InChIInChI=1S/C22H27N3O2/c1-16-7-6-10-20(17(16)2)23-22(27)24-21(26)15-25-13-11-19(12-14-25)18-8-4-3-5-9-18/h3-10,19H,11-15H2,1-2H3,(H2,23,24,26,27)
InChIKeyNOZPZAOMKGSSCV-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.83
Rot. Bonds4

About N-[(2,3-dimethylphenyl)carbamoyl]-2-(4-phenylpiperidin-1-yl)acetamide

N-[(2,3-dimethylphenyl)carbamoyl]-2-(4-phenylpiperidin-1-yl)acetamide (PubChem CID 46643091) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is N-[(2,3-dimethylphenyl)carbamoyl]-2-(4-phenylpiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(2,3-dimethylphenyl)carbamoyl]-2-(4-phenylpiperidin-1-yl)acetamide
PubChem CID46643091
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC NameN-[(2,3-dimethylphenyl)carbamoyl]-2-(4-phenylpiperidin-1-yl)acetamide
SMILESCc1cccc(NC(=O)NC(=O)CN2CCC(c3ccccc3)CC2)c1C
InChIInChI=1S/C22H27N3O2/c1-16-7-6-10-20(17(16)2)23-22(27)24-21(26)15-25-13-11-19(12-14-25)18-8-4-3-5-9-18/h3-10,19H,11-15H2,1-2H3,(H2,23,24,26,27)
InChIKeyNOZPZAOMKGSSCV-UHFFFAOYSA-N
XLogP3.83
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,3-dimethylphenyl)carbamoyl]-2-(4-methylsulfonylpiperazin-1-yl)acetamide
CID 55436788
N-[(2,3-dimethylphenyl)carbamoyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide
CID 9249225
N-(2,3-dimethylphenyl)-2-[4-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119923569
N-(2,3-dimethylphenyl)-2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]acetamide
CID 134038789
N-(2,3-dimethylphenyl)-2-[(3R)-3-hydroxypyrrolidin-1-yl]acetamide
CID 78963336
N-(2,3-dimethylphenyl)-2-(3-fluoropyrrolidin-1-yl)acetamide
CID 171327633
N-(2,3-dimethylphenyl)-2-(3-hydroxy-4-methylpiperidin-1-yl)acetamide
CID 103898054
N-(2,3-dimethylphenyl)-2-[3-(methylamino)pyrrolidin-1-yl]acetamide
CID 81492808
2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(2,3-dimethylphenyl)acetamide
CID 81495718
2-[4-(azepan-1-ylmethyl)piperidin-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 55702952
N-[(2,3-dimethylphenyl)carbamoyl]-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide
CID 120756139
N-[(2,4-dimethylphenyl)carbamoyl]-2-(4-hydroxypiperidin-1-yl)acetamide
CID 18083622

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethylphenyl)carbamoyl]-2-(4-phenylpiperidin-1-yl)acetamide?
The IUPAC name of N-[(2,3-dimethylphenyl)carbamoyl]-2-(4-phenylpiperidin-1-yl)acetamide (CID 46643091) is N-[(2,3-dimethylphenyl)carbamoyl]-2-(4-phenylpiperidin-1-yl)acetamide.
What is the SMILES notation for N-[(2,3-dimethylphenyl)carbamoyl]-2-(4-phenylpiperidin-1-yl)acetamide?
The canonical SMILES for N-[(2,3-dimethylphenyl)carbamoyl]-2-(4-phenylpiperidin-1-yl)acetamide is Cc1cccc(NC(=O)NC(=O)CN2CCC(c3ccccc3)CC2)c1C.
What is the InChIKey of N-[(2,3-dimethylphenyl)carbamoyl]-2-(4-phenylpiperidin-1-yl)acetamide?
The InChIKey is NOZPZAOMKGSSCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-16-7-6-10-20(17(16)2)23-22(27)24-21(26)15-25-13-11-19(12-14-25)18-8-4-3-5-9-18/h3-10,19H,11-15H2,1-2H3,(H2,23,24,26,27).
What are the key properties of N-[(2,3-dimethylphenyl)carbamoyl]-2-(4-phenylpiperidin-1-yl)acetamide?
N-[(2,3-dimethylphenyl)carbamoyl]-2-(4-phenylpiperidin-1-yl)acetamide has a molecular weight of 365.48 g/mol, XLogP of 3.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethylphenyl)carbamoyl]-2-(4-phenylpiperidin-1-yl)acetamide is sourced from PubChem (CID 46643091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).