N-[2-(4-fluorophenyl)-2-methoxyethyl]-3-(methoxymethyl)piperidine-1-carboxamide

C17H25FN2O3 — CID 71867522

IUPACN-[2-(4-fluorophenyl)-2-methoxyethyl]-3-(methoxymethyl)piperidine-1-carboxamide
SMILESCOCC1CCCN(C(=O)NCC(OC)c2ccc(F)cc2)C1
InChIInChI=1S/C17H25FN2O3/c1-22-12-13-4-3-9-20(11-13)17(21)19-10-16(23-2)14-5-7-15(18)8-6-14/h5-8,13,16H,3-4,9-12H2,1-2H3,(H,19,21)
InChIKeyAMFXRWILPBXANL-UHFFFAOYSA-N
MW324.40 g/mol
LogP2.58
Rot. Bonds6

About N-[2-(4-fluorophenyl)-2-methoxyethyl]-3-(methoxymethyl)piperidine-1-carboxamide

N-[2-(4-fluorophenyl)-2-methoxyethyl]-3-(methoxymethyl)piperidine-1-carboxamide (PubChem CID 71867522) has the molecular formula C17H25FN2O3 and a molecular weight of 324.40 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-2-methoxyethyl]-3-(methoxymethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-2-methoxyethyl]-3-(methoxymethyl)piperidine-1-carboxamide
PubChem CID71867522
Molecular FormulaC17H25FN2O3
Molecular Weight324.40 g/mol
Exact Mass324.18
IUPAC NameN-[2-(4-fluorophenyl)-2-methoxyethyl]-3-(methoxymethyl)piperidine-1-carboxamide
SMILESCOCC1CCCN(C(=O)NCC(OC)c2ccc(F)cc2)C1
InChIInChI=1S/C17H25FN2O3/c1-22-12-13-4-3-9-20(11-13)17(21)19-10-16(23-2)14-5-7-15(18)8-6-14/h5-8,13,16H,3-4,9-12H2,1-2H3,(H,19,21)
InChIKeyAMFXRWILPBXANL-UHFFFAOYSA-N
XLogP2.58
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-2-methoxyethyl]-3-(methoxymethyl)piperidine-1-carboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)-2-methoxyethyl]-3-(methoxymethyl)piperidine-1-carboxamide (CID 71867522) is N-[2-(4-fluorophenyl)-2-methoxyethyl]-3-(methoxymethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)-2-methoxyethyl]-3-(methoxymethyl)piperidine-1-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)-2-methoxyethyl]-3-(methoxymethyl)piperidine-1-carboxamide is COCC1CCCN(C(=O)NCC(OC)c2ccc(F)cc2)C1.
What is the InChIKey of N-[2-(4-fluorophenyl)-2-methoxyethyl]-3-(methoxymethyl)piperidine-1-carboxamide?
The InChIKey is AMFXRWILPBXANL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O3/c1-22-12-13-4-3-9-20(11-13)17(21)19-10-16(23-2)14-5-7-15(18)8-6-14/h5-8,13,16H,3-4,9-12H2,1-2H3,(H,19,21).
What are the key properties of N-[2-(4-fluorophenyl)-2-methoxyethyl]-3-(methoxymethyl)piperidine-1-carboxamide?
N-[2-(4-fluorophenyl)-2-methoxyethyl]-3-(methoxymethyl)piperidine-1-carboxamide has a molecular weight of 324.40 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-2-methoxyethyl]-3-(methoxymethyl)piperidine-1-carboxamide is sourced from PubChem (CID 71867522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).