2-[(3R,4R)-4-cyclopropyl-4-hydroxy-3-methylpiperidin-1-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide

C19H27FN2O2 — CID 70783366

IUPAC2-[(3R,4R)-4-cyclopropyl-4-hydroxy-3-methylpiperidin-1-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide
SMILESC[C@@H]1CN(CC(=O)NCCc2ccc(F)cc2)CC[C@@]1(O)C1CC1
InChIInChI=1S/C19H27FN2O2/c1-14-12-22(11-9-19(14,24)16-4-5-16)13-18(23)21-10-8-15-2-6-17(20)7-3-15/h2-3,6-7,14,16,24H,4-5,8-13H2,1H3,(H,21,23)/t14-,19+/m1/s1
InChIKeyUDSANJDOLVBMRU-KUHUBIRLSA-N
MW334.44 g/mol
LogP1.97
Rot. Bonds6

About 2-[(3R,4R)-4-cyclopropyl-4-hydroxy-3-methylpiperidin-1-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide

2-[(3R,4R)-4-cyclopropyl-4-hydroxy-3-methylpiperidin-1-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide (PubChem CID 70783366) has the molecular formula C19H27FN2O2 and a molecular weight of 334.44 g/mol. Its IUPAC name is 2-[(3R,4R)-4-cyclopropyl-4-hydroxy-3-methylpiperidin-1-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[(3R,4R)-4-cyclopropyl-4-hydroxy-3-methylpiperidin-1-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide
PubChem CID70783366
Molecular FormulaC19H27FN2O2
Molecular Weight334.44 g/mol
Exact Mass334.21
IUPAC Name2-[(3R,4R)-4-cyclopropyl-4-hydroxy-3-methylpiperidin-1-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide
SMILESC[C@@H]1CN(CC(=O)NCCc2ccc(F)cc2)CC[C@@]1(O)C1CC1
InChIInChI=1S/C19H27FN2O2/c1-14-12-22(11-9-19(14,24)16-4-5-16)13-18(23)21-10-8-15-2-6-17(20)7-3-15/h2-3,6-7,14,16,24H,4-5,8-13H2,1H3,(H,21,23)/t14-,19+/m1/s1
InChIKeyUDSANJDOLVBMRU-KUHUBIRLSA-N
XLogP1.97
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methylpiperazin-1-yl)-2-[[(1S,2R)-2-phenylcyclopropyl]amino]ethanone
CID 67379019
N-[2-(4-fluorophenyl)ethyl]-2-(4-methylpiperidin-1-yl)acetamide; oxalic acid
CID 16192685
(6S)-6-(cyclohexylmethyl)-1-[2-(3-fluorophenyl)ethyl]piperazine-2,3-dione
CID 23641166
1-(4-ethylpiperazin-1-yl)-2-[[(1S,2R)-2-phenylcyclopropyl]amino]ethanone
CID 67378515
2-[[(1S,2R)-2-phenylcyclopropyl]amino]-N-(piperidin-4-ylmethyl)acetamide
CID 90654145
2-[[(1S,2R)-2-[4-(4-fluorophenyl)phenyl]cyclopropyl]amino]-1-(4-methylpiperazin-1-yl)ethanone
CID 90654158
2-[[(1S,2R)-2-[4-(2,4-difluorophenyl)phenyl]cyclopropyl]amino]-1-(4-methylpiperazin-1-yl)ethanone
CID 90654161
2-[[(1S,2R)-2-[4-(2-fluorophenyl)phenyl]cyclopropyl]amino]-1-(4-methylpiperazin-1-yl)ethanone
CID 90654163
2-[[(1S,2R)-2-[4-(3-fluorophenyl)phenyl]cyclopropyl]amino]-1-(4-methylpiperazin-1-yl)ethanone
CID 90654167
3,3,3-trifluoro-N-[2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-3-phenylpropyl]-2,2-dimethylpropanamide
CID 121313654
(6R)-1-[2-(3-fluorophenyl)ethyl]-6-(1-hydroxyethyl)piperazine-2,3-dione
CID 16745890
(6S)-6-(4-aminobutyl)-1-[2-(3-fluorophenyl)ethyl]piperazine-2,3-dione
CID 16745900

Frequently Asked Questions

What is the IUPAC name of 2-[(3R,4R)-4-cyclopropyl-4-hydroxy-3-methylpiperidin-1-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide?
The IUPAC name of 2-[(3R,4R)-4-cyclopropyl-4-hydroxy-3-methylpiperidin-1-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide (CID 70783366) is 2-[(3R,4R)-4-cyclopropyl-4-hydroxy-3-methylpiperidin-1-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-[(3R,4R)-4-cyclopropyl-4-hydroxy-3-methylpiperidin-1-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide?
The canonical SMILES for 2-[(3R,4R)-4-cyclopropyl-4-hydroxy-3-methylpiperidin-1-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide is C[C@@H]1CN(CC(=O)NCCc2ccc(F)cc2)CC[C@@]1(O)C1CC1.
What is the InChIKey of 2-[(3R,4R)-4-cyclopropyl-4-hydroxy-3-methylpiperidin-1-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide?
The InChIKey is UDSANJDOLVBMRU-KUHUBIRLSA-N. The full InChI is InChI=1S/C19H27FN2O2/c1-14-12-22(11-9-19(14,24)16-4-5-16)13-18(23)21-10-8-15-2-6-17(20)7-3-15/h2-3,6-7,14,16,24H,4-5,8-13H2,1H3,(H,21,23)/t14-,19+/m1/s1.
What are the key properties of 2-[(3R,4R)-4-cyclopropyl-4-hydroxy-3-methylpiperidin-1-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide?
2-[(3R,4R)-4-cyclopropyl-4-hydroxy-3-methylpiperidin-1-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide has a molecular weight of 334.44 g/mol, XLogP of 1.97, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,4R)-4-cyclopropyl-4-hydroxy-3-methylpiperidin-1-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide is sourced from PubChem (CID 70783366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).