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

C16H23FN2O — CID 94115488

IUPAC2-(4-fluorophenyl)-N-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]acetamide
SMILESC[C@@H]1CCCN(CCNC(=O)Cc2ccc(F)cc2)C1
InChIInChI=1S/C16H23FN2O/c1-13-3-2-9-19(12-13)10-8-18-16(20)11-14-4-6-15(17)7-5-14/h4-7,13H,2-3,8-12H2,1H3,(H,18,20)/t13-/m1/s1
InChIKeyZMKZBELSQIBSDK-CYBMUJFWSA-N
MW278.37 g/mol
LogP2.22
Rot. Bonds5

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

2-(4-fluorophenyl)-N-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]acetamide (PubChem CID 94115488) has the molecular formula C16H23FN2O and a molecular weight of 278.37 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]acetamide
PubChem CID94115488
Molecular FormulaC16H23FN2O
Molecular Weight278.37 g/mol
Exact Mass278.18
IUPAC Name2-(4-fluorophenyl)-N-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]acetamide
SMILESC[C@@H]1CCCN(CCNC(=O)Cc2ccc(F)cc2)C1
InChIInChI=1S/C16H23FN2O/c1-13-3-2-9-19(12-13)10-8-18-16(20)11-14-4-6-15(17)7-5-14/h4-7,13H,2-3,8-12H2,1H3,(H,18,20)/t13-/m1/s1
InChIKeyZMKZBELSQIBSDK-CYBMUJFWSA-N
XLogP2.22
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-fluorophenyl)-N-[2-[[N-methyl-C-(3-methylpiperidin-1-yl)carbonimidoyl]amino]ethyl]acetamide
CID 111145258
5-methyl-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]furan-2-carboxamide
CID 94115510
2-(4-fluorophenyl)-1-(3-methylpiperidin-1-yl)ethanone
CID 2915380
1-[[(3R)-1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-3-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]urea
CID 124832010
N-[2-[[ethylamino-(3-methylpiperidin-1-yl)methylidene]amino]ethyl]-2-(4-fluorophenyl)acetamide;hydroiodide
CID 111144923
N-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 94115482
(3R)-1-[(4-fluorophenyl)methyl]-3-methylpiperidine
CID 51531587
2-methoxy-N-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]acetamide
CID 94116180
1-[2-(4-fluorophenyl)ethyl]-2-methyl-3-[4-(3-methylpiperidin-1-yl)butyl]guanidine;hydroiodide
CID 111229708
N-[2-(4-fluorophenyl)ethyl]-3-methylpiperidine-1-carboxamide
CID 108902116
3-hydroxy-N-[2-(3-methylpiperidin-1-yl)ethyl]-3-phenylbutanamide
CID 110024824
2-(4-fluorophenyl)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]acetamide
CID 42266590

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]acetamide (CID 94115488) is 2-(4-fluorophenyl)-N-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]acetamide is C[C@@H]1CCCN(CCNC(=O)Cc2ccc(F)cc2)C1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]acetamide?
The InChIKey is ZMKZBELSQIBSDK-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H23FN2O/c1-13-3-2-9-19(12-13)10-8-18-16(20)11-14-4-6-15(17)7-5-14/h4-7,13H,2-3,8-12H2,1H3,(H,18,20)/t13-/m1/s1.
What are the key properties of 2-(4-fluorophenyl)-N-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]acetamide?
2-(4-fluorophenyl)-N-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]acetamide has a molecular weight of 278.37 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]acetamide is sourced from PubChem (CID 94115488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).