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

C22H27N3O3 — CID 3053604

IUPACN-[(3,4-dimethylphenyl)carbamoyl]-2-(4-hydroxy-4-phenylpiperidin-1-yl)acetamide
SMILESCc1ccc(NC(=O)NC(=O)CN2CCC(O)(c3ccccc3)CC2)cc1C
InChIInChI=1S/C22H27N3O3/c1-16-8-9-19(14-17(16)2)23-21(27)24-20(26)15-25-12-10-22(28,11-13-25)18-6-4-3-5-7-18/h3-9,14,28H,10-13,15H2,1-2H3,(H2,23,24,26,27)
InChIKeySUENJHBRFAQVAJ-UHFFFAOYSA-N
MW381.48 g/mol
LogP2.94
Rot. Bonds4

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

N-[(3,4-dimethylphenyl)carbamoyl]-2-(4-hydroxy-4-phenylpiperidin-1-yl)acetamide (PubChem CID 3053604) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is N-[(3,4-dimethylphenyl)carbamoyl]-2-(4-hydroxy-4-phenylpiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(3,4-dimethylphenyl)carbamoyl]-2-(4-hydroxy-4-phenylpiperidin-1-yl)acetamide
PubChem CID3053604
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC NameN-[(3,4-dimethylphenyl)carbamoyl]-2-(4-hydroxy-4-phenylpiperidin-1-yl)acetamide
SMILESCc1ccc(NC(=O)NC(=O)CN2CCC(O)(c3ccccc3)CC2)cc1C
InChIInChI=1S/C22H27N3O3/c1-16-8-9-19(14-17(16)2)23-21(27)24-20(26)15-25-12-10-22(28,11-13-25)18-6-4-3-5-7-18/h3-9,14,28H,10-13,15H2,1-2H3,(H2,23,24,26,27)
InChIKeySUENJHBRFAQVAJ-UHFFFAOYSA-N
XLogP2.94
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-{4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-butyl}-6-(3-ethyl-4-methyl-phenylamino)-1H-pyrimidine-2,4-dione
CID 11813233
2-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-N-phenylacetamide
CID 1967607
N-[4-(dimethylamino)phenyl]-2-(4-hydroxy-4-phenyl-piperidino)acetamide
CID 3228763
N-(sec-butyl)-3-(3,4-dimethylphenyl)-4-hydroxy-2-oxo-1,2,3,4-tetrahydroquinazoline-4-carboxamide
CID 3549654
4-hydroxy-N-phenyl-4-[3-(trifluoromethyl)phenyl]-1-piperidinecarboxamide
CID 6459805
6-(3-Ethyl-4-methyl-phenylamino)-3-[4-(4-hydroxy-4-phenyl-piperidin-1-yl)-butyl]-1H-pyrimidine-2,4-dione
CID 10928878
3-[(dimethylamino)methyl]-4-hydroxy-N,4-diphenylpiperidine-1-carboxamide;hydrochloride
CID 162655156
4-(4-fluorophenyl)-N-[3-fluoro-5-(trifluoromethyl)phenyl]-4-hydroxypiperidine-1-carboxamide
CID 23071955
6-[3-(1-Hydroxy-ethyl)-4-methyl-phenylamino]-3-(4-methoxy-butyl)-1H-pyrimidine-2,4-dione
CID 11046260
1-Piperidineacetamide, 4-hydroxy-4-phenyl-N-((phenylamino)carbonyl)-
CID 3053601
1-Piperidineacetamide, 4-hydroxy-N-(((2-methylphenyl)amino)carbonyl)-4-phenyl-
CID 3053602
1-Piperidineacetamide, 4-hydroxy-N-(((4-methylphenyl)amino)carbonyl)-4-phenyl-
CID 3053603

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethylphenyl)carbamoyl]-2-(4-hydroxy-4-phenylpiperidin-1-yl)acetamide?
The IUPAC name of N-[(3,4-dimethylphenyl)carbamoyl]-2-(4-hydroxy-4-phenylpiperidin-1-yl)acetamide (CID 3053604) is N-[(3,4-dimethylphenyl)carbamoyl]-2-(4-hydroxy-4-phenylpiperidin-1-yl)acetamide.
What is the SMILES notation for N-[(3,4-dimethylphenyl)carbamoyl]-2-(4-hydroxy-4-phenylpiperidin-1-yl)acetamide?
The canonical SMILES for N-[(3,4-dimethylphenyl)carbamoyl]-2-(4-hydroxy-4-phenylpiperidin-1-yl)acetamide is Cc1ccc(NC(=O)NC(=O)CN2CCC(O)(c3ccccc3)CC2)cc1C.
What is the InChIKey of N-[(3,4-dimethylphenyl)carbamoyl]-2-(4-hydroxy-4-phenylpiperidin-1-yl)acetamide?
The InChIKey is SUENJHBRFAQVAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-16-8-9-19(14-17(16)2)23-21(27)24-20(26)15-25-12-10-22(28,11-13-25)18-6-4-3-5-7-18/h3-9,14,28H,10-13,15H2,1-2H3,(H2,23,24,26,27).
What are the key properties of N-[(3,4-dimethylphenyl)carbamoyl]-2-(4-hydroxy-4-phenylpiperidin-1-yl)acetamide?
N-[(3,4-dimethylphenyl)carbamoyl]-2-(4-hydroxy-4-phenylpiperidin-1-yl)acetamide has a molecular weight of 381.48 g/mol, XLogP of 2.94, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethylphenyl)carbamoyl]-2-(4-hydroxy-4-phenylpiperidin-1-yl)acetamide is sourced from PubChem (CID 3053604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).