3-ethyl-N-[2-(4-fluorophenyl)ethyl]piperidine-3-carboxamide

C16H23FN2O — CID 63132469

IUPAC3-ethyl-N-[2-(4-fluorophenyl)ethyl]piperidine-3-carboxamide
SMILESCCC1(C(=O)NCCc2ccc(F)cc2)CCCNC1
InChIInChI=1S/C16H23FN2O/c1-2-16(9-3-10-18-12-16)15(20)19-11-8-13-4-6-14(17)7-5-13/h4-7,18H,2-3,8-12H2,1H3,(H,19,20)
InChIKeyRTACUBGHCGNAKF-UHFFFAOYSA-N
MW278.37 g/mol
LogP2.26
Rot. Bonds5

About 3-ethyl-N-[2-(4-fluorophenyl)ethyl]piperidine-3-carboxamide

3-ethyl-N-[2-(4-fluorophenyl)ethyl]piperidine-3-carboxamide (PubChem CID 63132469) has the molecular formula C16H23FN2O and a molecular weight of 278.37 g/mol. Its IUPAC name is 3-ethyl-N-[2-(4-fluorophenyl)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-[2-(4-fluorophenyl)ethyl]piperidine-3-carboxamide
PubChem CID63132469
Molecular FormulaC16H23FN2O
Molecular Weight278.37 g/mol
Exact Mass278.18
IUPAC Name3-ethyl-N-[2-(4-fluorophenyl)ethyl]piperidine-3-carboxamide
SMILESCCC1(C(=O)NCCc2ccc(F)cc2)CCCNC1
InChIInChI=1S/C16H23FN2O/c1-2-16(9-3-10-18-12-16)15(20)19-11-8-13-4-6-14(17)7-5-13/h4-7,18H,2-3,8-12H2,1H3,(H,19,20)
InChIKeyRTACUBGHCGNAKF-UHFFFAOYSA-N
XLogP2.26
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-N-[2-(furan-2-yl)ethyl]piperidine-3-carboxamide
CID 63130359
3-ethyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]piperidine-3-carboxamide
CID 106397914
N-(2-acetamidoethyl)-3-ethylpiperidine-3-carboxamide
CID 63130017
(2R)-2-ethyl-N-[2-(4-fluorophenyl)ethyl]pyrrolidine-2-carboxamide
CID 129381268
2-ethyl-N-[2-(4-fluorophenyl)ethyl]pyrrolidine-2-carboxamide
CID 83080161
3-[(3-ethylpiperidine-3-carbonyl)amino]propanoic acid
CID 63131870
N-(2,4-difluorophenyl)-3-ethylpiperidine-3-carboxamide
CID 63132090
N-[2-(cyclopenten-1-yl)ethyl]-3-ethylpyrrolidine-3-carboxamide
CID 114154046
N-(3-amino-3-oxopropyl)-3-ethylpiperidine-3-carboxamide
CID 63130061
N-[2-(4-chlorophenyl)ethyl]-4-ethylpiperidine-4-carboxamide
CID 63129179
3-ethyl-N-(2-methylsulfonylethyl)piperidine-3-carboxamide
CID 63131031
3-ethyl-N-[[3-(hydroxymethyl)phenyl]methyl]piperidine-3-carboxamide
CID 107218375

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[2-(4-fluorophenyl)ethyl]piperidine-3-carboxamide?
The IUPAC name of 3-ethyl-N-[2-(4-fluorophenyl)ethyl]piperidine-3-carboxamide (CID 63132469) is 3-ethyl-N-[2-(4-fluorophenyl)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for 3-ethyl-N-[2-(4-fluorophenyl)ethyl]piperidine-3-carboxamide?
The canonical SMILES for 3-ethyl-N-[2-(4-fluorophenyl)ethyl]piperidine-3-carboxamide is CCC1(C(=O)NCCc2ccc(F)cc2)CCCNC1.
What is the InChIKey of 3-ethyl-N-[2-(4-fluorophenyl)ethyl]piperidine-3-carboxamide?
The InChIKey is RTACUBGHCGNAKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O/c1-2-16(9-3-10-18-12-16)15(20)19-11-8-13-4-6-14(17)7-5-13/h4-7,18H,2-3,8-12H2,1H3,(H,19,20).
What are the key properties of 3-ethyl-N-[2-(4-fluorophenyl)ethyl]piperidine-3-carboxamide?
3-ethyl-N-[2-(4-fluorophenyl)ethyl]piperidine-3-carboxamide has a molecular weight of 278.37 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[2-(4-fluorophenyl)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 63132469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).