N-(1,3-benzodioxol-5-ylmethyl)-2-[(3R,4S)-3-ethyl-1-(4-fluorobenzoyl)piperidin-4-yl]acetamide

C24H27FN2O4 — CID 11941275

IUPACN-(1,3-benzodioxol-5-ylmethyl)-2-[(3R,4S)-3-ethyl-1-(4-fluorobenzoyl)piperidin-4-yl]acetamide
SMILESCC[C@H]1CN(C(=O)c2ccc(F)cc2)CC[C@H]1CC(=O)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C24H27FN2O4/c1-2-17-14-27(24(29)18-4-6-20(25)7-5-18)10-9-19(17)12-23(28)26-13-16-3-8-21-22(11-16)31-15-30-21/h3-8,11,17,19H,2,9-10,12-15H2,1H3,(H,26,28)/t17-,19-/m0/s1
InChIKeyYOXZSALSFFVPFU-HKUYNNGSSA-N
MW426.49 g/mol
LogP3.75
Rot. Bonds6

About N-(1,3-benzodioxol-5-ylmethyl)-2-[(3R,4S)-3-ethyl-1-(4-fluorobenzoyl)piperidin-4-yl]acetamide

N-(1,3-benzodioxol-5-ylmethyl)-2-[(3R,4S)-3-ethyl-1-(4-fluorobenzoyl)piperidin-4-yl]acetamide (PubChem CID 11941275) has the molecular formula C24H27FN2O4 and a molecular weight of 426.49 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-2-[(3R,4S)-3-ethyl-1-(4-fluorobenzoyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-2-[(3R,4S)-3-ethyl-1-(4-fluorobenzoyl)piperidin-4-yl]acetamide
PubChem CID11941275
Molecular FormulaC24H27FN2O4
Molecular Weight426.49 g/mol
Exact Mass426.20
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-2-[(3R,4S)-3-ethyl-1-(4-fluorobenzoyl)piperidin-4-yl]acetamide
SMILESCC[C@H]1CN(C(=O)c2ccc(F)cc2)CC[C@H]1CC(=O)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C24H27FN2O4/c1-2-17-14-27(24(29)18-4-6-20(25)7-5-18)10-9-19(17)12-23(28)26-13-16-3-8-21-22(11-16)31-15-30-21/h3-8,11,17,19H,2,9-10,12-15H2,1H3,(H,26,28)/t17-,19-/m0/s1
InChIKeyYOXZSALSFFVPFU-HKUYNNGSSA-N
XLogP3.75
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.49
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1,3-benzodioxol-5-ylmethyl)-2-[(3R,4S)-3-ethyl-1-(4-fluorobenzoyl)piperidin-4-yl]acetamide with MolForge

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(cyclopropanecarbonyl)-3-ethylpiperidin-4-yl]acetamide
CID 73139103
2-[(3R,4S)-3-ethyl-1-(4-fluorobenzoyl)piperidin-4-yl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 11912308
N-cyclopropyl-2-[3-ethyl-1-(4-fluorobenzoyl)piperidin-4-yl]acetamide
CID 73139183
N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-fluorophenyl)methylamino]acetamide
CID 108997703
2-[(3S,4S)-3-ethyl-1-(4-fluorobenzoyl)piperidin-4-yl]-1-morpholin-4-ylethanone
CID 162966907
2-[(3R,4S)-1-benzoyl-3-ethylpiperidin-4-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 11912039
1,3-benzodioxol-5-yl-[3-ethyl-4-(methylamino)piperidin-1-yl]methanone
CID 114506350
2-[(3S,4S)-1-benzoyl-3-ethylpiperidin-4-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 163162329
N-(1,3-benzodioxol-5-ylmethyl)-5-(4-fluorophenyl)-5-oxopentanamide
CID 110298086
N-(1,3-benzodioxol-5-ylmethyl)-3-[(4-fluorophenyl)methylamino]propanamide
CID 109021165
N-(1,3-benzodioxol-5-ylmethyl)-1-(4-chlorobenzoyl)piperidine-3-carboxamide
CID 4876339
N-(1,3-benzodioxol-5-ylmethyl)-N'-(4-fluorophenyl)propanediamide
CID 108947217

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-[(3R,4S)-3-ethyl-1-(4-fluorobenzoyl)piperidin-4-yl]acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-[(3R,4S)-3-ethyl-1-(4-fluorobenzoyl)piperidin-4-yl]acetamide (CID 11941275) is N-(1,3-benzodioxol-5-ylmethyl)-2-[(3R,4S)-3-ethyl-1-(4-fluorobenzoyl)piperidin-4-yl]acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-2-[(3R,4S)-3-ethyl-1-(4-fluorobenzoyl)piperidin-4-yl]acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-2-[(3R,4S)-3-ethyl-1-(4-fluorobenzoyl)piperidin-4-yl]acetamide is CC[C@H]1CN(C(=O)c2ccc(F)cc2)CC[C@H]1CC(=O)NCc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-2-[(3R,4S)-3-ethyl-1-(4-fluorobenzoyl)piperidin-4-yl]acetamide?
The InChIKey is YOXZSALSFFVPFU-HKUYNNGSSA-N. The full InChI is InChI=1S/C24H27FN2O4/c1-2-17-14-27(24(29)18-4-6-20(25)7-5-18)10-9-19(17)12-23(28)26-13-16-3-8-21-22(11-16)31-15-30-21/h3-8,11,17,19H,2,9-10,12-15H2,1H3,(H,26,28)/t17-,19-/m0/s1.
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-2-[(3R,4S)-3-ethyl-1-(4-fluorobenzoyl)piperidin-4-yl]acetamide?
N-(1,3-benzodioxol-5-ylmethyl)-2-[(3R,4S)-3-ethyl-1-(4-fluorobenzoyl)piperidin-4-yl]acetamide has a molecular weight of 426.49 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-2-[(3R,4S)-3-ethyl-1-(4-fluorobenzoyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 11941275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).