N-cyclobutyl-2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide

C17H22FN3O2 — CID 24817458

IUPACN-cyclobutyl-2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide
SMILESO=C(CC1C(=O)NCCN1Cc1cccc(F)c1)NC1CCC1
InChIInChI=1S/C17H22FN3O2/c18-13-4-1-3-12(9-13)11-21-8-7-19-17(23)15(21)10-16(22)20-14-5-2-6-14/h1,3-4,9,14-15H,2,5-8,10-11H2,(H,19,23)(H,20,22)
InChIKeyRLGHNSMANFHSRG-UHFFFAOYSA-N
MW319.38 g/mol
LogP1.18
Rot. Bonds5

About N-cyclobutyl-2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide

N-cyclobutyl-2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide (PubChem CID 24817458) has the molecular formula C17H22FN3O2 and a molecular weight of 319.38 g/mol. Its IUPAC name is N-cyclobutyl-2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide.

Molecular Properties

Compound NameN-cyclobutyl-2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide
PubChem CID24817458
Molecular FormulaC17H22FN3O2
Molecular Weight319.38 g/mol
Exact Mass319.17
IUPAC NameN-cyclobutyl-2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide
SMILESO=C(CC1C(=O)NCCN1Cc1cccc(F)c1)NC1CCC1
InChIInChI=1S/C17H22FN3O2/c18-13-4-1-3-12(9-13)11-21-8-7-19-17(23)15(21)10-16(22)20-14-5-2-6-14/h1,3-4,9,14-15H,2,5-8,10-11H2,(H,19,23)(H,20,22)
InChIKeyRLGHNSMANFHSRG-UHFFFAOYSA-N
XLogP1.18
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide?
The IUPAC name of N-cyclobutyl-2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide (CID 24817458) is N-cyclobutyl-2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide.
What is the SMILES notation for N-cyclobutyl-2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide?
The canonical SMILES for N-cyclobutyl-2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide is O=C(CC1C(=O)NCCN1Cc1cccc(F)c1)NC1CCC1.
What is the InChIKey of N-cyclobutyl-2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide?
The InChIKey is RLGHNSMANFHSRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3O2/c18-13-4-1-3-12(9-13)11-21-8-7-19-17(23)15(21)10-16(22)20-14-5-2-6-14/h1,3-4,9,14-15H,2,5-8,10-11H2,(H,19,23)(H,20,22).
What are the key properties of N-cyclobutyl-2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide?
N-cyclobutyl-2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide has a molecular weight of 319.38 g/mol, XLogP of 1.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide is sourced from PubChem (CID 24817458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).