(2R)-2-(4-fluorophenyl)-3-oxo-N-(2-propoxyethyl)piperazine-1-carboxamide

C16H22FN3O3 — CID 126429449

IUPAC(2R)-2-(4-fluorophenyl)-3-oxo-N-(2-propoxyethyl)piperazine-1-carboxamide
SMILESCCCOCCNC(=O)N1CCNC(=O)[C@H]1c1ccc(F)cc1
InChIInChI=1S/C16H22FN3O3/c1-2-10-23-11-8-19-16(22)20-9-7-18-15(21)14(20)12-3-5-13(17)6-4-12/h3-6,14H,2,7-11H2,1H3,(H,18,21)(H,19,22)/t14-/m1/s1
InChIKeyKKJJUGOOFHMVPM-CQSZACIVSA-N
MW323.37 g/mol
LogP1.43
Rot. Bonds6

About (2R)-2-(4-fluorophenyl)-3-oxo-N-(2-propoxyethyl)piperazine-1-carboxamide

(2R)-2-(4-fluorophenyl)-3-oxo-N-(2-propoxyethyl)piperazine-1-carboxamide (PubChem CID 126429449) has the molecular formula C16H22FN3O3 and a molecular weight of 323.37 g/mol. Its IUPAC name is (2R)-2-(4-fluorophenyl)-3-oxo-N-(2-propoxyethyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name(2R)-2-(4-fluorophenyl)-3-oxo-N-(2-propoxyethyl)piperazine-1-carboxamide
PubChem CID126429449
Molecular FormulaC16H22FN3O3
Molecular Weight323.37 g/mol
Exact Mass323.16
IUPAC Name(2R)-2-(4-fluorophenyl)-3-oxo-N-(2-propoxyethyl)piperazine-1-carboxamide
SMILESCCCOCCNC(=O)N1CCNC(=O)[C@H]1c1ccc(F)cc1
InChIInChI=1S/C16H22FN3O3/c1-2-10-23-11-8-19-16(22)20-9-7-18-15(21)14(20)12-3-5-13(17)6-4-12/h3-6,14H,2,7-11H2,1H3,(H,18,21)(H,19,22)/t14-/m1/s1
InChIKeyKKJJUGOOFHMVPM-CQSZACIVSA-N
XLogP1.43
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 51.43
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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Related Compounds

2-(4-fluorophenyl)-3-oxo-N-[(1-propylcyclobutyl)methyl]piperazine-1-carboxamide
CID 122556834
methyl 4-[2-(4-fluorophenyl)-3-oxopiperazin-1-yl]-4-oxobutanoate
CID 110669941
(2S)-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(4-fluorophenyl)-3-oxopiperazine-1-carboxamide
CID 126445021
N-cyclohexyl-2-(4-fluorophenyl)-3-oxopiperazine-1-carboxamide
CID 110428510
(2R)-2-(4-fluorophenyl)-N-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]-3-oxopiperazine-1-carboxamide
CID 126448670
(2S)-2-(4-fluorophenyl)-N-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]-3-oxopiperazine-1-carboxamide
CID 126448671
(2R)-2-(4-fluorophenyl)-3-oxo-N-(1-propyltriazol-4-yl)piperazine-1-carboxamide
CID 125157169
4-(2,2-dimethylpropanoyl)-3-(4-fluorophenyl)piperazin-2-one
CID 110428483
2-(4-fluorophenyl)-N-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-3-oxopiperazine-1-carboxamide
CID 122560681
1-(4-fluorophenyl)-4-[2-(4-fluorophenyl)-3-oxopiperazin-1-yl]butane-1,4-dione
CID 110426009
4-[2-(4-fluorophenyl)acetyl]-3-(4-methylphenyl)piperazin-2-one
CID 110420024
(2S)-2-(4-fluorophenyl)-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-3-oxopiperazine-1-carboxamide
CID 125439398

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-fluorophenyl)-3-oxo-N-(2-propoxyethyl)piperazine-1-carboxamide?
The IUPAC name of (2R)-2-(4-fluorophenyl)-3-oxo-N-(2-propoxyethyl)piperazine-1-carboxamide (CID 126429449) is (2R)-2-(4-fluorophenyl)-3-oxo-N-(2-propoxyethyl)piperazine-1-carboxamide.
What is the SMILES notation for (2R)-2-(4-fluorophenyl)-3-oxo-N-(2-propoxyethyl)piperazine-1-carboxamide?
The canonical SMILES for (2R)-2-(4-fluorophenyl)-3-oxo-N-(2-propoxyethyl)piperazine-1-carboxamide is CCCOCCNC(=O)N1CCNC(=O)[C@H]1c1ccc(F)cc1.
What is the InChIKey of (2R)-2-(4-fluorophenyl)-3-oxo-N-(2-propoxyethyl)piperazine-1-carboxamide?
The InChIKey is KKJJUGOOFHMVPM-CQSZACIVSA-N. The full InChI is InChI=1S/C16H22FN3O3/c1-2-10-23-11-8-19-16(22)20-9-7-18-15(21)14(20)12-3-5-13(17)6-4-12/h3-6,14H,2,7-11H2,1H3,(H,18,21)(H,19,22)/t14-/m1/s1.
What are the key properties of (2R)-2-(4-fluorophenyl)-3-oxo-N-(2-propoxyethyl)piperazine-1-carboxamide?
(2R)-2-(4-fluorophenyl)-3-oxo-N-(2-propoxyethyl)piperazine-1-carboxamide has a molecular weight of 323.37 g/mol, XLogP of 1.43, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-fluorophenyl)-3-oxo-N-(2-propoxyethyl)piperazine-1-carboxamide is sourced from PubChem (CID 126429449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).