2-(3-fluorophenyl)-N-[2-oxo-2-(piperidin-3-ylmethylamino)ethyl]acetamide

C16H22FN3O2 — CID 119461967

IUPAC2-(3-fluorophenyl)-N-[2-oxo-2-(piperidin-3-ylmethylamino)ethyl]acetamide
SMILESO=C(CNC(=O)Cc1cccc(F)c1)NCC1CCCNC1
InChIInChI=1S/C16H22FN3O2/c17-14-5-1-3-12(7-14)8-15(21)20-11-16(22)19-10-13-4-2-6-18-9-13/h1,3,5,7,13,18H,2,4,6,8-11H2,(H,19,22)(H,20,21)
InChIKeyYSCJMTLDWCFZJL-UHFFFAOYSA-N
MW307.37 g/mol
LogP0.60
Rot. Bonds6

About 2-(3-fluorophenyl)-N-[2-oxo-2-(piperidin-3-ylmethylamino)ethyl]acetamide

2-(3-fluorophenyl)-N-[2-oxo-2-(piperidin-3-ylmethylamino)ethyl]acetamide (PubChem CID 119461967) has the molecular formula C16H22FN3O2 and a molecular weight of 307.37 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-N-[2-oxo-2-(piperidin-3-ylmethylamino)ethyl]acetamide.

Molecular Properties

Compound Name2-(3-fluorophenyl)-N-[2-oxo-2-(piperidin-3-ylmethylamino)ethyl]acetamide
PubChem CID119461967
Molecular FormulaC16H22FN3O2
Molecular Weight307.37 g/mol
Exact Mass307.17
IUPAC Name2-(3-fluorophenyl)-N-[2-oxo-2-(piperidin-3-ylmethylamino)ethyl]acetamide
SMILESO=C(CNC(=O)Cc1cccc(F)c1)NCC1CCCNC1
InChIInChI=1S/C16H22FN3O2/c17-14-5-1-3-12(7-14)8-15(21)20-11-16(22)19-10-13-4-2-6-18-9-13/h1,3,5,7,13,18H,2,4,6,8-11H2,(H,19,22)(H,20,21)
InChIKeyYSCJMTLDWCFZJL-UHFFFAOYSA-N
XLogP0.60
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-fluorophenyl)-3-methyl-N-(piperidin-3-ylmethyl)butanamide
CID 119464064
2-(3-bromophenyl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
CID 75417754
2-(3-iodophenyl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
CID 119460923
2-phenyl-N-[[(3R)-piperidin-3-yl]methyl]acetamide;hydrochloride
CID 166436266
2-(3-fluorophenyl)-N-[2-[(2-hydroxycyclopentyl)methylamino]-2-oxoethyl]acetamide
CID 111464107
N-[(3-fluorophenyl)methyl]-2-piperidin-3-ylacetamide
CID 55105179
2-(3-fluorophenyl)-N-(pyrrolidin-2-ylmethyl)acetamide
CID 62540928
2-(3-fluorophenyl)-N-piperidin-3-ylacetamide
CID 18071271
2-[(4-fluorophenyl)methylcarbamoylamino]-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
CID 86813740
3-(3-fluorophenyl)-N-(piperidin-3-ylmethyl)butanamide
CID 119461609
2-(3-fluorophenyl)-N-[(6-methylpiperidin-3-yl)methyl]acetamide
CID 63007620
1-(3-fluorophenyl)-3-[[(3S)-piperidin-3-yl]methyl]urea
CID 51892143

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-N-[2-oxo-2-(piperidin-3-ylmethylamino)ethyl]acetamide?
The IUPAC name of 2-(3-fluorophenyl)-N-[2-oxo-2-(piperidin-3-ylmethylamino)ethyl]acetamide (CID 119461967) is 2-(3-fluorophenyl)-N-[2-oxo-2-(piperidin-3-ylmethylamino)ethyl]acetamide.
What is the SMILES notation for 2-(3-fluorophenyl)-N-[2-oxo-2-(piperidin-3-ylmethylamino)ethyl]acetamide?
The canonical SMILES for 2-(3-fluorophenyl)-N-[2-oxo-2-(piperidin-3-ylmethylamino)ethyl]acetamide is O=C(CNC(=O)Cc1cccc(F)c1)NCC1CCCNC1.
What is the InChIKey of 2-(3-fluorophenyl)-N-[2-oxo-2-(piperidin-3-ylmethylamino)ethyl]acetamide?
The InChIKey is YSCJMTLDWCFZJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3O2/c17-14-5-1-3-12(7-14)8-15(21)20-11-16(22)19-10-13-4-2-6-18-9-13/h1,3,5,7,13,18H,2,4,6,8-11H2,(H,19,22)(H,20,21).
What are the key properties of 2-(3-fluorophenyl)-N-[2-oxo-2-(piperidin-3-ylmethylamino)ethyl]acetamide?
2-(3-fluorophenyl)-N-[2-oxo-2-(piperidin-3-ylmethylamino)ethyl]acetamide has a molecular weight of 307.37 g/mol, XLogP of 0.60, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-N-[2-oxo-2-(piperidin-3-ylmethylamino)ethyl]acetamide is sourced from PubChem (CID 119461967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).