2-(4-fluorophenyl)-3-oxo-N-[(1-propylcyclobutyl)methyl]piperazine-1-carboxamide

C19H26FN3O2 — CID 122556834

IUPAC2-(4-fluorophenyl)-3-oxo-N-[(1-propylcyclobutyl)methyl]piperazine-1-carboxamide
SMILESCCCC1(CNC(=O)N2CCNC(=O)C2c2ccc(F)cc2)CCC1
InChIInChI=1S/C19H26FN3O2/c1-2-8-19(9-3-10-19)13-22-18(25)23-12-11-21-17(24)16(23)14-4-6-15(20)7-5-14/h4-7,16H,2-3,8-13H2,1H3,(H,21,24)(H,22,25)
InChIKeyMYFVXMANSFXUSF-UHFFFAOYSA-N
MW347.43 g/mol
LogP2.98
Rot. Bonds5

About 2-(4-fluorophenyl)-3-oxo-N-[(1-propylcyclobutyl)methyl]piperazine-1-carboxamide

2-(4-fluorophenyl)-3-oxo-N-[(1-propylcyclobutyl)methyl]piperazine-1-carboxamide (PubChem CID 122556834) has the molecular formula C19H26FN3O2 and a molecular weight of 347.43 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-3-oxo-N-[(1-propylcyclobutyl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-3-oxo-N-[(1-propylcyclobutyl)methyl]piperazine-1-carboxamide
PubChem CID122556834
Molecular FormulaC19H26FN3O2
Molecular Weight347.43 g/mol
Exact Mass347.20
IUPAC Name2-(4-fluorophenyl)-3-oxo-N-[(1-propylcyclobutyl)methyl]piperazine-1-carboxamide
SMILESCCCC1(CNC(=O)N2CCNC(=O)C2c2ccc(F)cc2)CCC1
InChIInChI=1S/C19H26FN3O2/c1-2-8-19(9-3-10-19)13-22-18(25)23-12-11-21-17(24)16(23)14-4-6-15(20)7-5-14/h4-7,16H,2-3,8-13H2,1H3,(H,21,24)(H,22,25)
InChIKeyMYFVXMANSFXUSF-UHFFFAOYSA-N
XLogP2.98
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.43
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(4-fluorophenyl)-3-oxo-N-(2-propoxyethyl)piperazine-1-carboxamide
CID 126429449
(2R)-2-(3-fluorophenyl)-N-[(1-methylcyclohexyl)methyl]-3-oxopiperazine-1-carboxamide
CID 125441244
N-cyclohexyl-2-(4-fluorophenyl)-3-oxopiperazine-1-carboxamide
CID 110428510
methyl 4-[2-(4-fluorophenyl)-3-oxopiperazin-1-yl]-4-oxobutanoate
CID 110669941
(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
N-[[1-(2-methylphenyl)cyclopropyl]methyl]-3-oxo-2-phenylpiperazine-1-carboxamide
CID 138993513
N-[4-[2-(4-fluorophenyl)-3-oxopiperazine-1-carbonyl]phenyl]acetamide
CID 110669940
N-[3-[2-(4-fluorophenyl)-3-oxopiperazine-1-carbonyl]phenyl]acetamide
CID 110669936
(2S)-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(4-fluorophenyl)-3-oxopiperazine-1-carboxamide
CID 126445021
4-(2-fluorobenzoyl)-3-(4-fluorophenyl)piperazin-2-one
CID 110428490
4-(4-bromobenzoyl)-3-(4-fluorophenyl)piperazin-2-one
CID 110428493

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-3-oxo-N-[(1-propylcyclobutyl)methyl]piperazine-1-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-3-oxo-N-[(1-propylcyclobutyl)methyl]piperazine-1-carboxamide (CID 122556834) is 2-(4-fluorophenyl)-3-oxo-N-[(1-propylcyclobutyl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-3-oxo-N-[(1-propylcyclobutyl)methyl]piperazine-1-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-3-oxo-N-[(1-propylcyclobutyl)methyl]piperazine-1-carboxamide is CCCC1(CNC(=O)N2CCNC(=O)C2c2ccc(F)cc2)CCC1.
What is the InChIKey of 2-(4-fluorophenyl)-3-oxo-N-[(1-propylcyclobutyl)methyl]piperazine-1-carboxamide?
The InChIKey is MYFVXMANSFXUSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN3O2/c1-2-8-19(9-3-10-19)13-22-18(25)23-12-11-21-17(24)16(23)14-4-6-15(20)7-5-14/h4-7,16H,2-3,8-13H2,1H3,(H,21,24)(H,22,25).
What are the key properties of 2-(4-fluorophenyl)-3-oxo-N-[(1-propylcyclobutyl)methyl]piperazine-1-carboxamide?
2-(4-fluorophenyl)-3-oxo-N-[(1-propylcyclobutyl)methyl]piperazine-1-carboxamide has a molecular weight of 347.43 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-3-oxo-N-[(1-propylcyclobutyl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 122556834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).