N-(3-fluorophenyl)-3-[3-(2-methoxyethylamino)-3-oxopropyl]piperidine-1-carboxamide

C18H26FN3O3 — CID 53138116

IUPACN-(3-fluorophenyl)-3-[3-(2-methoxyethylamino)-3-oxopropyl]piperidine-1-carboxamide
SMILESCOCCNC(=O)CCC1CCCN(C(=O)Nc2cccc(F)c2)C1
InChIInChI=1S/C18H26FN3O3/c1-25-11-9-20-17(23)8-7-14-4-3-10-22(13-14)18(24)21-16-6-2-5-15(19)12-16/h2,5-6,12,14H,3-4,7-11,13H2,1H3,(H,20,23)(H,21,24)
InChIKeyWZWHROQFXLZDCI-UHFFFAOYSA-N
MW351.42 g/mol
LogP2.61
Rot. Bonds7

About N-(3-fluorophenyl)-3-[3-(2-methoxyethylamino)-3-oxopropyl]piperidine-1-carboxamide

N-(3-fluorophenyl)-3-[3-(2-methoxyethylamino)-3-oxopropyl]piperidine-1-carboxamide (PubChem CID 53138116) has the molecular formula C18H26FN3O3 and a molecular weight of 351.42 g/mol. Its IUPAC name is N-(3-fluorophenyl)-3-[3-(2-methoxyethylamino)-3-oxopropyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-3-[3-(2-methoxyethylamino)-3-oxopropyl]piperidine-1-carboxamide
PubChem CID53138116
Molecular FormulaC18H26FN3O3
Molecular Weight351.42 g/mol
Exact Mass351.20
IUPAC NameN-(3-fluorophenyl)-3-[3-(2-methoxyethylamino)-3-oxopropyl]piperidine-1-carboxamide
SMILESCOCCNC(=O)CCC1CCCN(C(=O)Nc2cccc(F)c2)C1
InChIInChI=1S/C18H26FN3O3/c1-25-11-9-20-17(23)8-7-14-4-3-10-22(13-14)18(24)21-16-6-2-5-15(19)12-16/h2,5-6,12,14H,3-4,7-11,13H2,1H3,(H,20,23)(H,21,24)
InChIKeyWZWHROQFXLZDCI-UHFFFAOYSA-N
XLogP2.61
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.42
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-3-[3-(2-methoxyethylamino)-3-oxopropyl]piperidine-1-carboxamide?
The IUPAC name of N-(3-fluorophenyl)-3-[3-(2-methoxyethylamino)-3-oxopropyl]piperidine-1-carboxamide (CID 53138116) is N-(3-fluorophenyl)-3-[3-(2-methoxyethylamino)-3-oxopropyl]piperidine-1-carboxamide.
What is the SMILES notation for N-(3-fluorophenyl)-3-[3-(2-methoxyethylamino)-3-oxopropyl]piperidine-1-carboxamide?
The canonical SMILES for N-(3-fluorophenyl)-3-[3-(2-methoxyethylamino)-3-oxopropyl]piperidine-1-carboxamide is COCCNC(=O)CCC1CCCN(C(=O)Nc2cccc(F)c2)C1.
What is the InChIKey of N-(3-fluorophenyl)-3-[3-(2-methoxyethylamino)-3-oxopropyl]piperidine-1-carboxamide?
The InChIKey is WZWHROQFXLZDCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FN3O3/c1-25-11-9-20-17(23)8-7-14-4-3-10-22(13-14)18(24)21-16-6-2-5-15(19)12-16/h2,5-6,12,14H,3-4,7-11,13H2,1H3,(H,20,23)(H,21,24).
What are the key properties of N-(3-fluorophenyl)-3-[3-(2-methoxyethylamino)-3-oxopropyl]piperidine-1-carboxamide?
N-(3-fluorophenyl)-3-[3-(2-methoxyethylamino)-3-oxopropyl]piperidine-1-carboxamide has a molecular weight of 351.42 g/mol, XLogP of 2.61, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-3-[3-(2-methoxyethylamino)-3-oxopropyl]piperidine-1-carboxamide is sourced from PubChem (CID 53138116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).