ethyl N-[1-[2-(3-fluorophenyl)acetyl]piperidin-4-yl]carbamate

C16H21FN2O3 — CID 47906774

IUPACethyl N-[1-[2-(3-fluorophenyl)acetyl]piperidin-4-yl]carbamate
SMILESCCOC(=O)NC1CCN(C(=O)Cc2cccc(F)c2)CC1
InChIInChI=1S/C16H21FN2O3/c1-2-22-16(21)18-14-6-8-19(9-7-14)15(20)11-12-4-3-5-13(17)10-12/h3-5,10,14H,2,6-9,11H2,1H3,(H,18,21)
InChIKeyBHEMKJQOJJVHJW-UHFFFAOYSA-N
MW308.35 g/mol
LogP2.11
Rot. Bonds4

About ethyl N-[1-[2-(3-fluorophenyl)acetyl]piperidin-4-yl]carbamate

ethyl N-[1-[2-(3-fluorophenyl)acetyl]piperidin-4-yl]carbamate (PubChem CID 47906774) has the molecular formula C16H21FN2O3 and a molecular weight of 308.35 g/mol. Its IUPAC name is ethyl N-[1-[2-(3-fluorophenyl)acetyl]piperidin-4-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[1-[2-(3-fluorophenyl)acetyl]piperidin-4-yl]carbamate
PubChem CID47906774
Molecular FormulaC16H21FN2O3
Molecular Weight308.35 g/mol
Exact Mass308.15
IUPAC Nameethyl N-[1-[2-(3-fluorophenyl)acetyl]piperidin-4-yl]carbamate
SMILESCCOC(=O)NC1CCN(C(=O)Cc2cccc(F)c2)CC1
InChIInChI=1S/C16H21FN2O3/c1-2-22-16(21)18-14-6-8-19(9-7-14)15(20)11-12-4-3-5-13(17)10-12/h3-5,10,14H,2,6-9,11H2,1H3,(H,18,21)
InChIKeyBHEMKJQOJJVHJW-UHFFFAOYSA-N
XLogP2.11
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[2-(3-fluorophenyl)acetyl]piperidin-4-yl]propanamide
CID 110822825
N-[1-[2-(3-fluorophenyl)acetyl]piperidin-4-yl]acetamide
CID 49349287
ethyl 1-[2-(3-fluorophenyl)acetyl]piperidine-4-carboxylate
CID 43404272
1-[4-(1-aminoethyl)piperidin-1-yl]-2-(3-fluorophenyl)ethanone
CID 63596909
2-(3-fluorophenyl)-N-[1-(3-methylbutanoyl)piperidin-4-yl]acetamide
CID 51093724
N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-(3-fluorophenyl)acetamide
CID 110822279
1-[4-(1-bromoethyl)piperidin-1-yl]-2-(3-fluorophenyl)ethanone
CID 106839289
2-(3-fluorophenyl)-N-[1-(2-methylpropanoyl)piperidin-4-yl]acetamide
CID 32541358
1-[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]propan-1-one
CID 110817138
N-[1-[2-(4-ethoxyphenyl)acetyl]piperidin-4-yl]-3-fluorobenzamide
CID 108557500
2-(3-fluorophenyl)-1-[4-(4-methylphenoxy)piperidin-1-yl]ethanone
CID 50846863
N-[1-[3-(3-fluorophenyl)propanoyl]piperidin-4-yl]acetamide
CID 110726946

Frequently Asked Questions

What is the IUPAC name of ethyl N-[1-[2-(3-fluorophenyl)acetyl]piperidin-4-yl]carbamate?
The IUPAC name of ethyl N-[1-[2-(3-fluorophenyl)acetyl]piperidin-4-yl]carbamate (CID 47906774) is ethyl N-[1-[2-(3-fluorophenyl)acetyl]piperidin-4-yl]carbamate.
What is the SMILES notation for ethyl N-[1-[2-(3-fluorophenyl)acetyl]piperidin-4-yl]carbamate?
The canonical SMILES for ethyl N-[1-[2-(3-fluorophenyl)acetyl]piperidin-4-yl]carbamate is CCOC(=O)NC1CCN(C(=O)Cc2cccc(F)c2)CC1.
What is the InChIKey of ethyl N-[1-[2-(3-fluorophenyl)acetyl]piperidin-4-yl]carbamate?
The InChIKey is BHEMKJQOJJVHJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O3/c1-2-22-16(21)18-14-6-8-19(9-7-14)15(20)11-12-4-3-5-13(17)10-12/h3-5,10,14H,2,6-9,11H2,1H3,(H,18,21).
What are the key properties of ethyl N-[1-[2-(3-fluorophenyl)acetyl]piperidin-4-yl]carbamate?
ethyl N-[1-[2-(3-fluorophenyl)acetyl]piperidin-4-yl]carbamate has a molecular weight of 308.35 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[1-[2-(3-fluorophenyl)acetyl]piperidin-4-yl]carbamate is sourced from PubChem (CID 47906774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).