2-[(3R,4S)-3-ethyl-1-(4-fluorobenzoyl)piperidin-4-yl]-N-[(2-methoxyphenyl)methyl]acetamide

C24H29FN2O3 — CID 11912308

IUPAC2-[(3R,4S)-3-ethyl-1-(4-fluorobenzoyl)piperidin-4-yl]-N-[(2-methoxyphenyl)methyl]acetamide
SMILESCC[C@H]1CN(C(=O)c2ccc(F)cc2)CC[C@H]1CC(=O)NCc1ccccc1OC
InChIInChI=1S/C24H29FN2O3/c1-3-17-16-27(24(29)18-8-10-21(25)11-9-18)13-12-19(17)14-23(28)26-15-20-6-4-5-7-22(20)30-2/h4-11,17,19H,3,12-16H2,1-2H3,(H,26,28)/t17-,19-/m0/s1
InChIKeyROCMONVKTYHDMK-HKUYNNGSSA-N
MW412.51 g/mol
LogP4.03
Rot. Bonds7

About 2-[(3R,4S)-3-ethyl-1-(4-fluorobenzoyl)piperidin-4-yl]-N-[(2-methoxyphenyl)methyl]acetamide

2-[(3R,4S)-3-ethyl-1-(4-fluorobenzoyl)piperidin-4-yl]-N-[(2-methoxyphenyl)methyl]acetamide (PubChem CID 11912308) has the molecular formula C24H29FN2O3 and a molecular weight of 412.51 g/mol. Its IUPAC name is 2-[(3R,4S)-3-ethyl-1-(4-fluorobenzoyl)piperidin-4-yl]-N-[(2-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[(3R,4S)-3-ethyl-1-(4-fluorobenzoyl)piperidin-4-yl]-N-[(2-methoxyphenyl)methyl]acetamide
PubChem CID11912308
Molecular FormulaC24H29FN2O3
Molecular Weight412.51 g/mol
Exact Mass412.22
IUPAC Name2-[(3R,4S)-3-ethyl-1-(4-fluorobenzoyl)piperidin-4-yl]-N-[(2-methoxyphenyl)methyl]acetamide
SMILESCC[C@H]1CN(C(=O)c2ccc(F)cc2)CC[C@H]1CC(=O)NCc1ccccc1OC
InChIInChI=1S/C24H29FN2O3/c1-3-17-16-27(24(29)18-8-10-21(25)11-9-18)13-12-19(17)14-23(28)26-15-20-6-4-5-7-22(20)30-2/h4-11,17,19H,3,12-16H2,1-2H3,(H,26,28)/t17-,19-/m0/s1
InChIKeyROCMONVKTYHDMK-HKUYNNGSSA-N
XLogP4.03
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.51
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-ethyl-1-(morpholine-4-carbonyl)piperidin-4-yl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 73139173
2-[(3R,4S)-3-ethyl-1-(4-fluorobenzoyl)piperidin-4-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 11912525
2-(1-benzoyl-3-ethylpiperidin-4-yl)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 73147830
2-[(3R,4S)-1-benzoyl-3-ethylpiperidin-4-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 11912039
N-cyclopropyl-2-[3-ethyl-1-(4-fluorobenzoyl)piperidin-4-yl]acetamide
CID 73139183
N-(1,3-benzodioxol-5-ylmethyl)-2-[(3R,4S)-3-ethyl-1-(4-fluorobenzoyl)piperidin-4-yl]acetamide
CID 11941275
2-[(3S,4S)-1-benzoyl-3-ethylpiperidin-4-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 163162329
(4-fluorophenyl)-[4-[(2-methoxyphenyl)methoxy]piperidin-1-yl]methanone
CID 84594202
2-[(3R,4S)-1-(2-chloropyridine-4-carbonyl)-3-ethylpiperidin-4-yl]-N-(naphthalen-1-ylmethyl)acetamide
CID 11942993
2-[(3S,4S)-3-ethyl-1-(4-fluorobenzoyl)piperidin-4-yl]-1-morpholin-4-ylethanone
CID 162966907
2-(1-benzoyl-3-ethylpiperidin-4-yl)-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 163182330
4-(4-acetylpiperazine-1-carbonyl)-N-[(2-methoxyphenyl)methyl]benzamide
CID 109046451

Frequently Asked Questions

What is the IUPAC name of 2-[(3R,4S)-3-ethyl-1-(4-fluorobenzoyl)piperidin-4-yl]-N-[(2-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[(3R,4S)-3-ethyl-1-(4-fluorobenzoyl)piperidin-4-yl]-N-[(2-methoxyphenyl)methyl]acetamide (CID 11912308) is 2-[(3R,4S)-3-ethyl-1-(4-fluorobenzoyl)piperidin-4-yl]-N-[(2-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[(3R,4S)-3-ethyl-1-(4-fluorobenzoyl)piperidin-4-yl]-N-[(2-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[(3R,4S)-3-ethyl-1-(4-fluorobenzoyl)piperidin-4-yl]-N-[(2-methoxyphenyl)methyl]acetamide is CC[C@H]1CN(C(=O)c2ccc(F)cc2)CC[C@H]1CC(=O)NCc1ccccc1OC.
What is the InChIKey of 2-[(3R,4S)-3-ethyl-1-(4-fluorobenzoyl)piperidin-4-yl]-N-[(2-methoxyphenyl)methyl]acetamide?
The InChIKey is ROCMONVKTYHDMK-HKUYNNGSSA-N. The full InChI is InChI=1S/C24H29FN2O3/c1-3-17-16-27(24(29)18-8-10-21(25)11-9-18)13-12-19(17)14-23(28)26-15-20-6-4-5-7-22(20)30-2/h4-11,17,19H,3,12-16H2,1-2H3,(H,26,28)/t17-,19-/m0/s1.
What are the key properties of 2-[(3R,4S)-3-ethyl-1-(4-fluorobenzoyl)piperidin-4-yl]-N-[(2-methoxyphenyl)methyl]acetamide?
2-[(3R,4S)-3-ethyl-1-(4-fluorobenzoyl)piperidin-4-yl]-N-[(2-methoxyphenyl)methyl]acetamide has a molecular weight of 412.51 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,4S)-3-ethyl-1-(4-fluorobenzoyl)piperidin-4-yl]-N-[(2-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 11912308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).