2-acetamido-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methylacetamide

C19H28FN3O2 — CID 25383309

IUPAC2-acetamido-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methylacetamide
SMILESCC(=O)NCC(=O)N(C)CC1CCN(CCc2cccc(F)c2)CC1
InChIInChI=1S/C19H28FN3O2/c1-15(24)21-13-19(25)22(2)14-17-7-10-23(11-8-17)9-6-16-4-3-5-18(20)12-16/h3-5,12,17H,6-11,13-14H2,1-2H3,(H,21,24)
InChIKeyKTSRFAOFYBJROX-UHFFFAOYSA-N
MW349.45 g/mol
LogP1.67
Rot. Bonds7

About 2-acetamido-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methylacetamide

2-acetamido-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methylacetamide (PubChem CID 25383309) has the molecular formula C19H28FN3O2 and a molecular weight of 349.45 g/mol. Its IUPAC name is 2-acetamido-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-acetamido-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methylacetamide
PubChem CID25383309
Molecular FormulaC19H28FN3O2
Molecular Weight349.45 g/mol
Exact Mass349.22
IUPAC Name2-acetamido-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methylacetamide
SMILESCC(=O)NCC(=O)N(C)CC1CCN(CCc2cccc(F)c2)CC1
InChIInChI=1S/C19H28FN3O2/c1-15(24)21-13-19(25)22(2)14-17-7-10-23(11-8-17)9-6-16-4-3-5-18(20)12-16/h3-5,12,17H,6-11,13-14H2,1-2H3,(H,21,24)
InChIKeyKTSRFAOFYBJROX-UHFFFAOYSA-N
XLogP1.67
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.45
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methylacetamide?
The IUPAC name of 2-acetamido-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methylacetamide (CID 25383309) is 2-acetamido-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methylacetamide.
What is the SMILES notation for 2-acetamido-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methylacetamide?
The canonical SMILES for 2-acetamido-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methylacetamide is CC(=O)NCC(=O)N(C)CC1CCN(CCc2cccc(F)c2)CC1.
What is the InChIKey of 2-acetamido-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methylacetamide?
The InChIKey is KTSRFAOFYBJROX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28FN3O2/c1-15(24)21-13-19(25)22(2)14-17-7-10-23(11-8-17)9-6-16-4-3-5-18(20)12-16/h3-5,12,17H,6-11,13-14H2,1-2H3,(H,21,24).
What are the key properties of 2-acetamido-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methylacetamide?
2-acetamido-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methylacetamide has a molecular weight of 349.45 g/mol, XLogP of 1.67, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methylacetamide is sourced from PubChem (CID 25383309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).