1-cyclopropyl-N-[2-(2-fluorophenoxy)ethyl]-6-oxopiperidine-3-carboxamide

C17H21FN2O3 — CID 45227376

IUPAC1-cyclopropyl-N-[2-(2-fluorophenoxy)ethyl]-6-oxopiperidine-3-carboxamide
SMILESO=C(NCCOc1ccccc1F)C1CCC(=O)N(C2CC2)C1
InChIInChI=1S/C17H21FN2O3/c18-14-3-1-2-4-15(14)23-10-9-19-17(22)12-5-8-16(21)20(11-12)13-6-7-13/h1-4,12-13H,5-11H2,(H,19,22)
InChIKeyMXIOKEUOMOCDRC-UHFFFAOYSA-N
MW320.36 g/mol
LogP1.72
Rot. Bonds6

About 1-cyclopropyl-N-[2-(2-fluorophenoxy)ethyl]-6-oxopiperidine-3-carboxamide

1-cyclopropyl-N-[2-(2-fluorophenoxy)ethyl]-6-oxopiperidine-3-carboxamide (PubChem CID 45227376) has the molecular formula C17H21FN2O3 and a molecular weight of 320.36 g/mol. Its IUPAC name is 1-cyclopropyl-N-[2-(2-fluorophenoxy)ethyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name1-cyclopropyl-N-[2-(2-fluorophenoxy)ethyl]-6-oxopiperidine-3-carboxamide
PubChem CID45227376
Molecular FormulaC17H21FN2O3
Molecular Weight320.36 g/mol
Exact Mass320.15
IUPAC Name1-cyclopropyl-N-[2-(2-fluorophenoxy)ethyl]-6-oxopiperidine-3-carboxamide
SMILESO=C(NCCOc1ccccc1F)C1CCC(=O)N(C2CC2)C1
InChIInChI=1S/C17H21FN2O3/c18-14-3-1-2-4-15(14)23-10-9-19-17(22)12-5-8-16(21)20(11-12)13-6-7-13/h1-4,12-13H,5-11H2,(H,19,22)
InChIKeyMXIOKEUOMOCDRC-UHFFFAOYSA-N
XLogP1.72
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-fluorophenoxy)ethyl]cyclopent-3-ene-1-carboxamide
CID 131923892
1-cyclopropyl-N-[2-(3-fluorophenoxy)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 42959728
N-[2-(2-fluorophenoxy)ethyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 72919255
(1S,3S,4S)-3-amino-N-[2-(2-fluorophenoxy)ethyl]-4-hydroxycyclopentane-1-carboxamide
CID 155509778
N-[2-[(1-cyclopropyl-6-oxopiperidine-3-carbonyl)amino]ethyl]pyridine-3-carboxamide
CID 72876390
1-cyclopropyl-N-[3-(2-fluorophenyl)propyl]-5-oxopyrrolidine-3-carboxamide
CID 70724457
(3R)-N-[2-(2-fluorophenoxy)ethyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 51654904
(3R)-1-cyclopropyl-N-(2,2-diphenylpropyl)-6-oxopiperidine-3-carboxamide
CID 97145622
N-[2-(2-fluorophenoxy)ethyl]pyrrolidine-2-carboxamide
CID 110481245
1-cyclopentyl-N-[2-(2-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 42916466
1-[2-(2-fluorophenoxy)ethyl]-N-propylpiperidine-4-carboxamide
CID 134046317
1-(4-chlorophenyl)sulfonyl-N-[3-(2-fluorophenoxy)propyl]piperidine-4-carboxamide
CID 17479995

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[2-(2-fluorophenoxy)ethyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of 1-cyclopropyl-N-[2-(2-fluorophenoxy)ethyl]-6-oxopiperidine-3-carboxamide (CID 45227376) is 1-cyclopropyl-N-[2-(2-fluorophenoxy)ethyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for 1-cyclopropyl-N-[2-(2-fluorophenoxy)ethyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for 1-cyclopropyl-N-[2-(2-fluorophenoxy)ethyl]-6-oxopiperidine-3-carboxamide is O=C(NCCOc1ccccc1F)C1CCC(=O)N(C2CC2)C1.
What is the InChIKey of 1-cyclopropyl-N-[2-(2-fluorophenoxy)ethyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is MXIOKEUOMOCDRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O3/c18-14-3-1-2-4-15(14)23-10-9-19-17(22)12-5-8-16(21)20(11-12)13-6-7-13/h1-4,12-13H,5-11H2,(H,19,22).
What are the key properties of 1-cyclopropyl-N-[2-(2-fluorophenoxy)ethyl]-6-oxopiperidine-3-carboxamide?
1-cyclopropyl-N-[2-(2-fluorophenoxy)ethyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 320.36 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[2-(2-fluorophenoxy)ethyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 45227376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).