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

C16H19FN6O2 — CID 125157169

IUPAC(2R)-2-(4-fluorophenyl)-3-oxo-N-(1-propyltriazol-4-yl)piperazine-1-carboxamide
SMILESCCCn1cc(NC(=O)N2CCNC(=O)[C@H]2c2ccc(F)cc2)nn1
InChIInChI=1S/C16H19FN6O2/c1-2-8-22-10-13(20-21-22)19-16(25)23-9-7-18-15(24)14(23)11-3-5-12(17)6-4-11/h3-6,10,14H,2,7-9H2,1H3,(H,18,24)(H,19,25)/t14-/m1/s1
InChIKeyHFBDVFGKGNAZHP-CQSZACIVSA-N
MW346.37 g/mol
LogP1.53
Rot. Bonds4

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

(2R)-2-(4-fluorophenyl)-3-oxo-N-(1-propyltriazol-4-yl)piperazine-1-carboxamide (PubChem CID 125157169) has the molecular formula C16H19FN6O2 and a molecular weight of 346.37 g/mol. Its IUPAC name is (2R)-2-(4-fluorophenyl)-3-oxo-N-(1-propyltriazol-4-yl)piperazine-1-carboxamide.

Molecular Properties

Compound Name(2R)-2-(4-fluorophenyl)-3-oxo-N-(1-propyltriazol-4-yl)piperazine-1-carboxamide
PubChem CID125157169
Molecular FormulaC16H19FN6O2
Molecular Weight346.37 g/mol
Exact Mass346.16
IUPAC Name(2R)-2-(4-fluorophenyl)-3-oxo-N-(1-propyltriazol-4-yl)piperazine-1-carboxamide
SMILESCCCn1cc(NC(=O)N2CCNC(=O)[C@H]2c2ccc(F)cc2)nn1
InChIInChI=1S/C16H19FN6O2/c1-2-8-22-10-13(20-21-22)19-16(25)23-9-7-18-15(24)14(23)11-3-5-12(17)6-4-11/h3-6,10,14H,2,7-9H2,1H3,(H,18,24)(H,19,25)/t14-/m1/s1
InChIKeyHFBDVFGKGNAZHP-CQSZACIVSA-N
XLogP1.53
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.37
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-fluorophenyl)-3-oxo-N-[(1-propylcyclobutyl)methyl]piperazine-1-carboxamide
CID 122556834
(2R)-2-(4-fluorophenyl)-3-oxo-N-(2-propoxyethyl)piperazine-1-carboxamide
CID 126429449
(2R)-2-(4-fluorophenyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)-3-oxopiperazine-1-carboxamide
CID 95046023
N-cyclohexyl-2-(4-fluorophenyl)-3-oxopiperazine-1-carboxamide
CID 110428510
6-[2-(4-fluorophenyl)-3-oxopiperazine-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione
CID 72885693
methyl 4-[2-(4-fluorophenyl)-3-oxopiperazin-1-yl]-4-oxobutanoate
CID 110669941
4-(2,2-dimethylpropanoyl)-3-(4-fluorophenyl)piperazin-2-one
CID 110428483
N-[4-[2-(4-fluorophenyl)-3-oxopiperazine-1-carbonyl]phenyl]acetamide
CID 110669940
(2S)-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(4-fluorophenyl)-3-oxopiperazine-1-carboxamide
CID 126445021
4-[2-(4-fluorophenyl)acetyl]-3-(4-methylphenyl)piperazin-2-one
CID 110420024
(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

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-fluorophenyl)-3-oxo-N-(1-propyltriazol-4-yl)piperazine-1-carboxamide?
The IUPAC name of (2R)-2-(4-fluorophenyl)-3-oxo-N-(1-propyltriazol-4-yl)piperazine-1-carboxamide (CID 125157169) is (2R)-2-(4-fluorophenyl)-3-oxo-N-(1-propyltriazol-4-yl)piperazine-1-carboxamide.
What is the SMILES notation for (2R)-2-(4-fluorophenyl)-3-oxo-N-(1-propyltriazol-4-yl)piperazine-1-carboxamide?
The canonical SMILES for (2R)-2-(4-fluorophenyl)-3-oxo-N-(1-propyltriazol-4-yl)piperazine-1-carboxamide is CCCn1cc(NC(=O)N2CCNC(=O)[C@H]2c2ccc(F)cc2)nn1.
What is the InChIKey of (2R)-2-(4-fluorophenyl)-3-oxo-N-(1-propyltriazol-4-yl)piperazine-1-carboxamide?
The InChIKey is HFBDVFGKGNAZHP-CQSZACIVSA-N. The full InChI is InChI=1S/C16H19FN6O2/c1-2-8-22-10-13(20-21-22)19-16(25)23-9-7-18-15(24)14(23)11-3-5-12(17)6-4-11/h3-6,10,14H,2,7-9H2,1H3,(H,18,24)(H,19,25)/t14-/m1/s1.
What are the key properties of (2R)-2-(4-fluorophenyl)-3-oxo-N-(1-propyltriazol-4-yl)piperazine-1-carboxamide?
(2R)-2-(4-fluorophenyl)-3-oxo-N-(1-propyltriazol-4-yl)piperazine-1-carboxamide has a molecular weight of 346.37 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-fluorophenyl)-3-oxo-N-(1-propyltriazol-4-yl)piperazine-1-carboxamide is sourced from PubChem (CID 125157169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).