benzyl 4-[(4-fluorophenyl)carbamoyl]piperazine-1-carboxylate

C19H20FN3O3 — CID 20787792

IUPACbenzyl 4-[(4-fluorophenyl)carbamoyl]piperazine-1-carboxylate
SMILESO=C(Nc1ccc(F)cc1)N1CCN(C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C19H20FN3O3/c20-16-6-8-17(9-7-16)21-18(24)22-10-12-23(13-11-22)19(25)26-14-15-4-2-1-3-5-15/h1-9H,10-14H2,(H,21,24)
InChIKeyIOYJNEVWJMHLIX-UHFFFAOYSA-N
MW357.38 g/mol
LogP3.31
Rot. Bonds3

About benzyl 4-[(4-fluorophenyl)carbamoyl]piperazine-1-carboxylate

benzyl 4-[(4-fluorophenyl)carbamoyl]piperazine-1-carboxylate (PubChem CID 20787792) has the molecular formula C19H20FN3O3 and a molecular weight of 357.38 g/mol. Its IUPAC name is benzyl 4-[(4-fluorophenyl)carbamoyl]piperazine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-[(4-fluorophenyl)carbamoyl]piperazine-1-carboxylate
PubChem CID20787792
Molecular FormulaC19H20FN3O3
Molecular Weight357.38 g/mol
Exact Mass357.15
IUPAC Namebenzyl 4-[(4-fluorophenyl)carbamoyl]piperazine-1-carboxylate
SMILESO=C(Nc1ccc(F)cc1)N1CCN(C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C19H20FN3O3/c20-16-6-8-17(9-7-16)21-18(24)22-10-12-23(13-11-22)19(25)26-14-15-4-2-1-3-5-15/h1-9H,10-14H2,(H,21,24)
InChIKeyIOYJNEVWJMHLIX-UHFFFAOYSA-N
XLogP3.31
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.38
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276
benzyl 4-[(4-fluoroanilino)methyl]piperidine-1-carboxylate
CID 170459932
benzyl aziridine-1-carboxylate;silane
CID 158496499
benzyl 4-[4-[(4-fluorophenyl)carbamoyl]piperidin-1-yl]piperidine-1-carboxylate
CID 42880782
2-[[3-[(4-phenylmethoxycarbonylpiperazine-1-carbonyl)amino]benzoyl]amino]acetic acid
CID 57224907
4-acetyl-N-(4-phenylmethoxyphenyl)piperazine-1-carboxamide
CID 108988713
benzyl piperidine-1-carboxylate
CID 158057698
2-N-benzyl-1-N,4-N-bis(4-fluorophenyl)piperazine-1,2,4-tricarboxamide
CID 134085419
benzyl 1,4,7,10-tetrazacyclododecane-1-carboxylate
CID 11154253
benzyl 4-(cyclopentylcarbamoyl)-1,4-diazepane-1-carboxylate
CID 110811707
benzyl 4-(1,2-benzoxazol-3-ylcarbamoyl)piperazine-1-carboxylate
CID 68780053
benzyl 3-(4-fluorophenyl)pyrrolidine-1-carboxylate
CID 130472055

Frequently Asked Questions

What is the IUPAC name of benzyl 4-[(4-fluorophenyl)carbamoyl]piperazine-1-carboxylate?
The IUPAC name of benzyl 4-[(4-fluorophenyl)carbamoyl]piperazine-1-carboxylate (CID 20787792) is benzyl 4-[(4-fluorophenyl)carbamoyl]piperazine-1-carboxylate.
What is the SMILES notation for benzyl 4-[(4-fluorophenyl)carbamoyl]piperazine-1-carboxylate?
The canonical SMILES for benzyl 4-[(4-fluorophenyl)carbamoyl]piperazine-1-carboxylate is O=C(Nc1ccc(F)cc1)N1CCN(C(=O)OCc2ccccc2)CC1.
What is the InChIKey of benzyl 4-[(4-fluorophenyl)carbamoyl]piperazine-1-carboxylate?
The InChIKey is IOYJNEVWJMHLIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O3/c20-16-6-8-17(9-7-16)21-18(24)22-10-12-23(13-11-22)19(25)26-14-15-4-2-1-3-5-15/h1-9H,10-14H2,(H,21,24).
What are the key properties of benzyl 4-[(4-fluorophenyl)carbamoyl]piperazine-1-carboxylate?
benzyl 4-[(4-fluorophenyl)carbamoyl]piperazine-1-carboxylate has a molecular weight of 357.38 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-[(4-fluorophenyl)carbamoyl]piperazine-1-carboxylate is sourced from PubChem (CID 20787792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).