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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Related Compounds

N-ethyl-N-[1-(4-fluorophenyl)ethyl]piperidine-3-carboxamide
CID 60947943
N-ethyl-N-[1-(4-fluorophenyl)ethyl]azepane-2-carboxamide
CID 64563430
N-[1-(4-fluorophenyl)ethyl]-N-methylpyrrolidine-2-carboxamide
CID 54869659
N,3-dimethyl-N-(1-pyridin-4-ylethyl)piperidine-2-carboxamide
CID 107067802
2-[ethyl-[1-(4-fluorophenyl)ethyl]carbamoyl]oxolane-3-carboxylic acid
CID 167947971
N-ethyl-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 60794877
N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-piperidin-4-ylacetamide
CID 61029614
N-cyclopropyl-N-ethyl-3-methylpiperidine-2-carboxamide
CID 107067196
N-(2-hydroxyethyl)-3-methyl-N-pentan-3-ylpiperidine-2-carboxamide
CID 62341000
N-[1-(dimethylamino)propan-2-yl]-N-ethyl-3-methylpyrrolidine-2-carboxamide
CID 103188683
N-[(3-chlorophenyl)methyl]-3-methyl-N-propan-2-ylpiperidine-2-carboxamide
CID 107067692
2-(cyclopropylmethoxy)-N-ethyl-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 78892616

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).