N-carbamoyl-2-[1-(2-fluoroethyl)-3-hydroxy-4-(5-methoxy-2-methylphenyl)-2-methyl-3-propylpiperidin-4-yl]acetamide

C22H34FN3O4 — CID 126490812

IUPACN-carbamoyl-2-[1-(2-fluoroethyl)-3-hydroxy-4-(5-methoxy-2-methylphenyl)-2-methyl-3-propylpiperidin-4-yl]acetamide
SMILESCCCC1(O)C(C)N(CCF)CCC1(CC(=O)NC(N)=O)c1cc(OC)ccc1C
InChIInChI=1S/C22H34FN3O4/c1-5-8-22(29)16(3)26(12-10-23)11-9-21(22,14-19(27)25-20(24)28)18-13-17(30-4)7-6-15(18)2/h6-7,13,16,29H,5,8-12,14H2,1-4H3,(H3,24,25,27,28)
InChIKeyDWHKPYSZALEVFP-UHFFFAOYSA-N
MW423.53 g/mol
LogP2.42
Rot. Bonds8

About N-carbamoyl-2-[1-(2-fluoroethyl)-3-hydroxy-4-(5-methoxy-2-methylphenyl)-2-methyl-3-propylpiperidin-4-yl]acetamide

N-carbamoyl-2-[1-(2-fluoroethyl)-3-hydroxy-4-(5-methoxy-2-methylphenyl)-2-methyl-3-propylpiperidin-4-yl]acetamide (PubChem CID 126490812) has the molecular formula C22H34FN3O4 and a molecular weight of 423.53 g/mol. Its IUPAC name is N-carbamoyl-2-[1-(2-fluoroethyl)-3-hydroxy-4-(5-methoxy-2-methylphenyl)-2-methyl-3-propylpiperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-carbamoyl-2-[1-(2-fluoroethyl)-3-hydroxy-4-(5-methoxy-2-methylphenyl)-2-methyl-3-propylpiperidin-4-yl]acetamide
PubChem CID126490812
Molecular FormulaC22H34FN3O4
Molecular Weight423.53 g/mol
Exact Mass423.25
IUPAC NameN-carbamoyl-2-[1-(2-fluoroethyl)-3-hydroxy-4-(5-methoxy-2-methylphenyl)-2-methyl-3-propylpiperidin-4-yl]acetamide
SMILESCCCC1(O)C(C)N(CCF)CCC1(CC(=O)NC(N)=O)c1cc(OC)ccc1C
InChIInChI=1S/C22H34FN3O4/c1-5-8-22(29)16(3)26(12-10-23)11-9-21(22,14-19(27)25-20(24)28)18-13-17(30-4)7-6-15(18)2/h6-7,13,16,29H,5,8-12,14H2,1-4H3,(H3,24,25,27,28)
InChIKeyDWHKPYSZALEVFP-UHFFFAOYSA-N
XLogP2.42
TPSA104.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.53
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-carbamoyl-2-[(4R)-3-hydroxy-4-(5-methoxy-2-methylphenyl)-1,2-dimethyl-3-propylpiperidin-4-yl]acetamide
CID 126490790
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
N-(benzylcarbamoyl)-2-[1-(cyclopropylmethyl)-3-hydroxy-4-(5-hydroxy-2-methylphenyl)-2-methyl-3-propylpiperidin-4-yl]acetamide
CID 126490733
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-[2-[(4R)-1-(cyclopropylmethyl)-3-hydroxy-4-(5-hydroxy-2-methylphenyl)-2-methyl-3-propylpiperidin-4-yl]ethyl]formamide
CID 144643880
[(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
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-(5-methoxy-2-methylanilino)acetamide
CID 113256460
(4aS)-N-carbamoyl-2-(cyclopropylmethyl)-N-ethyl-8a-hydroxy-4a-(5-methoxy-2-methylphenyl)-1-methyl-3,4,5,6,7,8-hexahydro-1H-isoquinoline-6-carboxamide
CID 144643769
2-[(1R,4aR,8aS)-1-(2,5-dimethoxyphenyl)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-N-propylacetamide
CID 7001530
2-amino-N-[2-[(1R,9R,13R)-10-(cyclopropylmethyl)-4-methoxy-13-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-1-yl]ethyl]acetamide
CID 131985508

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-[1-(2-fluoroethyl)-3-hydroxy-4-(5-methoxy-2-methylphenyl)-2-methyl-3-propylpiperidin-4-yl]acetamide?
The IUPAC name of N-carbamoyl-2-[1-(2-fluoroethyl)-3-hydroxy-4-(5-methoxy-2-methylphenyl)-2-methyl-3-propylpiperidin-4-yl]acetamide (CID 126490812) is N-carbamoyl-2-[1-(2-fluoroethyl)-3-hydroxy-4-(5-methoxy-2-methylphenyl)-2-methyl-3-propylpiperidin-4-yl]acetamide.
What is the SMILES notation for N-carbamoyl-2-[1-(2-fluoroethyl)-3-hydroxy-4-(5-methoxy-2-methylphenyl)-2-methyl-3-propylpiperidin-4-yl]acetamide?
The canonical SMILES for N-carbamoyl-2-[1-(2-fluoroethyl)-3-hydroxy-4-(5-methoxy-2-methylphenyl)-2-methyl-3-propylpiperidin-4-yl]acetamide is CCCC1(O)C(C)N(CCF)CCC1(CC(=O)NC(N)=O)c1cc(OC)ccc1C.
What is the InChIKey of N-carbamoyl-2-[1-(2-fluoroethyl)-3-hydroxy-4-(5-methoxy-2-methylphenyl)-2-methyl-3-propylpiperidin-4-yl]acetamide?
The InChIKey is DWHKPYSZALEVFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34FN3O4/c1-5-8-22(29)16(3)26(12-10-23)11-9-21(22,14-19(27)25-20(24)28)18-13-17(30-4)7-6-15(18)2/h6-7,13,16,29H,5,8-12,14H2,1-4H3,(H3,24,25,27,28).
What are the key properties of N-carbamoyl-2-[1-(2-fluoroethyl)-3-hydroxy-4-(5-methoxy-2-methylphenyl)-2-methyl-3-propylpiperidin-4-yl]acetamide?
N-carbamoyl-2-[1-(2-fluoroethyl)-3-hydroxy-4-(5-methoxy-2-methylphenyl)-2-methyl-3-propylpiperidin-4-yl]acetamide has a molecular weight of 423.53 g/mol, XLogP of 2.42, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-[1-(2-fluoroethyl)-3-hydroxy-4-(5-methoxy-2-methylphenyl)-2-methyl-3-propylpiperidin-4-yl]acetamide is sourced from PubChem (CID 126490812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).