N-carbamoyl-2-[(4R)-3-hydroxy-4-(5-methoxy-2-methylphenyl)-1,2-dimethyl-3-propylpiperidin-4-yl]acetamide

C21H33N3O4 — CID 126490790

IUPACN-carbamoyl-2-[(4R)-3-hydroxy-4-(5-methoxy-2-methylphenyl)-1,2-dimethyl-3-propylpiperidin-4-yl]acetamide
SMILESCCCC1(O)C(C)N(C)CC[C@@]1(CC(=O)NC(N)=O)c1cc(OC)ccc1C
InChIInChI=1S/C21H33N3O4/c1-6-9-21(27)15(3)24(4)11-10-20(21,13-18(25)23-19(22)26)17-12-16(28-5)8-7-14(17)2/h7-8,12,15,27H,6,9-11,13H2,1-5H3,(H3,22,23,25,26)/t15?,20-,21?/m1/s1
InChIKeyJUCNNCWETOFNEI-VZDHWGDASA-N
MW391.51 g/mol
LogP2.08
Rot. Bonds6

About N-carbamoyl-2-[(4R)-3-hydroxy-4-(5-methoxy-2-methylphenyl)-1,2-dimethyl-3-propylpiperidin-4-yl]acetamide

N-carbamoyl-2-[(4R)-3-hydroxy-4-(5-methoxy-2-methylphenyl)-1,2-dimethyl-3-propylpiperidin-4-yl]acetamide (PubChem CID 126490790) has the molecular formula C21H33N3O4 and a molecular weight of 391.51 g/mol. Its IUPAC name is N-carbamoyl-2-[(4R)-3-hydroxy-4-(5-methoxy-2-methylphenyl)-1,2-dimethyl-3-propylpiperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-carbamoyl-2-[(4R)-3-hydroxy-4-(5-methoxy-2-methylphenyl)-1,2-dimethyl-3-propylpiperidin-4-yl]acetamide
PubChem CID126490790
Molecular FormulaC21H33N3O4
Molecular Weight391.51 g/mol
Exact Mass391.25
IUPAC NameN-carbamoyl-2-[(4R)-3-hydroxy-4-(5-methoxy-2-methylphenyl)-1,2-dimethyl-3-propylpiperidin-4-yl]acetamide
SMILESCCCC1(O)C(C)N(C)CC[C@@]1(CC(=O)NC(N)=O)c1cc(OC)ccc1C
InChIInChI=1S/C21H33N3O4/c1-6-9-21(27)15(3)24(4)11-10-20(21,13-18(25)23-19(22)26)17-12-16(28-5)8-7-14(17)2/h7-8,12,15,27H,6,9-11,13H2,1-5H3,(H3,22,23,25,26)/t15?,20-,21?/m1/s1
InChIKeyJUCNNCWETOFNEI-VZDHWGDASA-N
XLogP2.08
TPSA104.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.51
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-carbamoyl-2-[1-(2-fluoroethyl)-3-hydroxy-4-(5-methoxy-2-methylphenyl)-2-methyl-3-propylpiperidin-4-yl]acetamide
CID 126490812
N-carbamoyl-2-(13-hydroxy-4-methoxy-10-methyl-8-oxo-13-propyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-1-yl)acetamide
CID 135191362
N-carbamoyl-2-[1-[(4Z)-4-ethenylhepta-4,6-dienyl]-3-hydroxy-4-(5-hydroxy-2-methylphenyl)-2-methyl-3-propylpiperidin-4-yl]acetamide;ethane
CID 144643792
1-ethyl-5a-hydroxy-9a-(5-methoxy-2-methylphenyl)-6,7-dimethyl-2-oxo-6,8,9,10-tetrahydro-5H-pyrido[3,4-g]quinoline-3-carboxylic acid
CID 144978545
N-carbamoyl-2-(cyclohexylmethyl)-8a-hydroxy-4a-(5-methoxy-2-methylphenyl)-1-methyl-3,4,5,6,7,8-hexahydro-1H-isoquinoline-6-carboxamide
CID 126490365
N-carbamoyl-2-(5-methoxy-2-methylanilino)acetamide
CID 113256460
[(1R,4aS,6R,8aS)-2-(cyclopropylmethyl)-8a-hydroxy-4a-(5-methoxy-2-methylphenyl)-1-methyl-3,4,5,6,7,8-hexahydro-1H-isoquinolin-6-yl]methylurea
CID 126490783
ethyl 7-methoxy-4,8b-dimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indole-3-carboxylate
CID 612748
(3aS,8bR)-8b-ethyl-7-methoxy-3,4-dimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indole
CID 122231230
N-[2-[(4R)-1-(cyclopropylmethyl)-3-hydroxy-4-(5-hydroxy-2-methylphenyl)-2-methyl-3-propylpiperidin-4-yl]ethyl]formamide
CID 144643880
2-(1-aminocyclobutyl)-N-(5-methoxy-2-methylphenyl)acetamide
CID 113266134
ethyl (2R)-2-amino-5-methoxy-1,3-dihydroindene-2-carboxylate
CID 45112147

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-[(4R)-3-hydroxy-4-(5-methoxy-2-methylphenyl)-1,2-dimethyl-3-propylpiperidin-4-yl]acetamide?
The IUPAC name of N-carbamoyl-2-[(4R)-3-hydroxy-4-(5-methoxy-2-methylphenyl)-1,2-dimethyl-3-propylpiperidin-4-yl]acetamide (CID 126490790) is N-carbamoyl-2-[(4R)-3-hydroxy-4-(5-methoxy-2-methylphenyl)-1,2-dimethyl-3-propylpiperidin-4-yl]acetamide.
What is the SMILES notation for N-carbamoyl-2-[(4R)-3-hydroxy-4-(5-methoxy-2-methylphenyl)-1,2-dimethyl-3-propylpiperidin-4-yl]acetamide?
The canonical SMILES for N-carbamoyl-2-[(4R)-3-hydroxy-4-(5-methoxy-2-methylphenyl)-1,2-dimethyl-3-propylpiperidin-4-yl]acetamide is CCCC1(O)C(C)N(C)CC[C@@]1(CC(=O)NC(N)=O)c1cc(OC)ccc1C.
What is the InChIKey of N-carbamoyl-2-[(4R)-3-hydroxy-4-(5-methoxy-2-methylphenyl)-1,2-dimethyl-3-propylpiperidin-4-yl]acetamide?
The InChIKey is JUCNNCWETOFNEI-VZDHWGDASA-N. The full InChI is InChI=1S/C21H33N3O4/c1-6-9-21(27)15(3)24(4)11-10-20(21,13-18(25)23-19(22)26)17-12-16(28-5)8-7-14(17)2/h7-8,12,15,27H,6,9-11,13H2,1-5H3,(H3,22,23,25,26)/t15?,20-,21?/m1/s1.
What are the key properties of N-carbamoyl-2-[(4R)-3-hydroxy-4-(5-methoxy-2-methylphenyl)-1,2-dimethyl-3-propylpiperidin-4-yl]acetamide?
N-carbamoyl-2-[(4R)-3-hydroxy-4-(5-methoxy-2-methylphenyl)-1,2-dimethyl-3-propylpiperidin-4-yl]acetamide has a molecular weight of 391.51 g/mol, XLogP of 2.08, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-[(4R)-3-hydroxy-4-(5-methoxy-2-methylphenyl)-1,2-dimethyl-3-propylpiperidin-4-yl]acetamide is sourced from PubChem (CID 126490790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).