N-ethyl-N-[1-(4-fluorophenyl)ethyl]-3-methylpiperidine-2-carboxamide

C17H25FN2O — CID 107067743

IUPACN-ethyl-N-[1-(4-fluorophenyl)ethyl]-3-methylpiperidine-2-carboxamide
SMILESCCN(C(=O)C1NCCCC1C)C(C)c1ccc(F)cc1
InChIInChI=1S/C17H25FN2O/c1-4-20(13(3)14-7-9-15(18)10-8-14)17(21)16-12(2)6-5-11-19-16/h7-10,12-13,16,19H,4-6,11H2,1-3H3
InChIKeyGGJVHTICCRDHMS-UHFFFAOYSA-N
MW292.40 g/mol
LogP3.12
Rot. Bonds4

About N-ethyl-N-[1-(4-fluorophenyl)ethyl]-3-methylpiperidine-2-carboxamide

N-ethyl-N-[1-(4-fluorophenyl)ethyl]-3-methylpiperidine-2-carboxamide (PubChem CID 107067743) has the molecular formula C17H25FN2O and a molecular weight of 292.40 g/mol. Its IUPAC name is N-ethyl-N-[1-(4-fluorophenyl)ethyl]-3-methylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[1-(4-fluorophenyl)ethyl]-3-methylpiperidine-2-carboxamide
PubChem CID107067743
Molecular FormulaC17H25FN2O
Molecular Weight292.40 g/mol
Exact Mass292.20
IUPAC NameN-ethyl-N-[1-(4-fluorophenyl)ethyl]-3-methylpiperidine-2-carboxamide
SMILESCCN(C(=O)C1NCCCC1C)C(C)c1ccc(F)cc1
InChIInChI=1S/C17H25FN2O/c1-4-20(13(3)14-7-9-15(18)10-8-14)17(21)16-12(2)6-5-11-19-16/h7-10,12-13,16,19H,4-6,11H2,1-3H3
InChIKeyGGJVHTICCRDHMS-UHFFFAOYSA-N
XLogP3.12
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[1-(4-fluorophenyl)ethyl]-3-methylpiperidine-2-carboxamide?
The IUPAC name of N-ethyl-N-[1-(4-fluorophenyl)ethyl]-3-methylpiperidine-2-carboxamide (CID 107067743) is N-ethyl-N-[1-(4-fluorophenyl)ethyl]-3-methylpiperidine-2-carboxamide.
What is the SMILES notation for N-ethyl-N-[1-(4-fluorophenyl)ethyl]-3-methylpiperidine-2-carboxamide?
The canonical SMILES for N-ethyl-N-[1-(4-fluorophenyl)ethyl]-3-methylpiperidine-2-carboxamide is CCN(C(=O)C1NCCCC1C)C(C)c1ccc(F)cc1.
What is the InChIKey of N-ethyl-N-[1-(4-fluorophenyl)ethyl]-3-methylpiperidine-2-carboxamide?
The InChIKey is GGJVHTICCRDHMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O/c1-4-20(13(3)14-7-9-15(18)10-8-14)17(21)16-12(2)6-5-11-19-16/h7-10,12-13,16,19H,4-6,11H2,1-3H3.
What are the key properties of N-ethyl-N-[1-(4-fluorophenyl)ethyl]-3-methylpiperidine-2-carboxamide?
N-ethyl-N-[1-(4-fluorophenyl)ethyl]-3-methylpiperidine-2-carboxamide has a molecular weight of 292.40 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[1-(4-fluorophenyl)ethyl]-3-methylpiperidine-2-carboxamide is sourced from PubChem (CID 107067743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).