N-(4-fluorophenyl)-3-[3-(2-methoxyethylamino)-3-oxopropyl]piperidine-1-carboxamide

C18H26FN3O3 — CID 53138052

IUPACN-(4-fluorophenyl)-3-[3-(2-methoxyethylamino)-3-oxopropyl]piperidine-1-carboxamide
SMILESCOCCNC(=O)CCC1CCCN(C(=O)Nc2ccc(F)cc2)C1
InChIInChI=1S/C18H26FN3O3/c1-25-12-10-20-17(23)9-4-14-3-2-11-22(13-14)18(24)21-16-7-5-15(19)6-8-16/h5-8,14H,2-4,9-13H2,1H3,(H,20,23)(H,21,24)
InChIKeyKSVYKDFCMQZOQO-UHFFFAOYSA-N
MW351.42 g/mol
LogP2.61
Rot. Bonds7

About N-(4-fluorophenyl)-3-[3-(2-methoxyethylamino)-3-oxopropyl]piperidine-1-carboxamide

N-(4-fluorophenyl)-3-[3-(2-methoxyethylamino)-3-oxopropyl]piperidine-1-carboxamide (PubChem CID 53138052) has the molecular formula C18H26FN3O3 and a molecular weight of 351.42 g/mol. Its IUPAC name is N-(4-fluorophenyl)-3-[3-(2-methoxyethylamino)-3-oxopropyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-3-[3-(2-methoxyethylamino)-3-oxopropyl]piperidine-1-carboxamide
PubChem CID53138052
Molecular FormulaC18H26FN3O3
Molecular Weight351.42 g/mol
Exact Mass351.20
IUPAC NameN-(4-fluorophenyl)-3-[3-(2-methoxyethylamino)-3-oxopropyl]piperidine-1-carboxamide
SMILESCOCCNC(=O)CCC1CCCN(C(=O)Nc2ccc(F)cc2)C1
InChIInChI=1S/C18H26FN3O3/c1-25-12-10-20-17(23)9-4-14-3-2-11-22(13-14)18(24)21-16-7-5-15(19)6-8-16/h5-8,14H,2-4,9-13H2,1H3,(H,20,23)(H,21,24)
InChIKeyKSVYKDFCMQZOQO-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-(4-fluorophenyl)-3-[3-(2-methoxyethylamino)-3-oxopropyl]piperidine-1-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-3-[3-(2-methoxyethylamino)-3-oxopropyl]piperidine-1-carboxamide (CID 53138052) is N-(4-fluorophenyl)-3-[3-(2-methoxyethylamino)-3-oxopropyl]piperidine-1-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-3-[3-(2-methoxyethylamino)-3-oxopropyl]piperidine-1-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-3-[3-(2-methoxyethylamino)-3-oxopropyl]piperidine-1-carboxamide is COCCNC(=O)CCC1CCCN(C(=O)Nc2ccc(F)cc2)C1.
What is the InChIKey of N-(4-fluorophenyl)-3-[3-(2-methoxyethylamino)-3-oxopropyl]piperidine-1-carboxamide?
The InChIKey is KSVYKDFCMQZOQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FN3O3/c1-25-12-10-20-17(23)9-4-14-3-2-11-22(13-14)18(24)21-16-7-5-15(19)6-8-16/h5-8,14H,2-4,9-13H2,1H3,(H,20,23)(H,21,24).
What are the key properties of N-(4-fluorophenyl)-3-[3-(2-methoxyethylamino)-3-oxopropyl]piperidine-1-carboxamide?
N-(4-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-(4-fluorophenyl)-3-[3-(2-methoxyethylamino)-3-oxopropyl]piperidine-1-carboxamide is sourced from PubChem (CID 53138052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).