(2S)-1-(4-fluorobenzoyl)-N-methylpiperazine-2-carboxamide

C13H16FN3O2 — CID 124513939

IUPAC(2S)-1-(4-fluorobenzoyl)-N-methylpiperazine-2-carboxamide
SMILESCNC(=O)[C@@H]1CNCCN1C(=O)c1ccc(F)cc1
InChIInChI=1S/C13H16FN3O2/c1-15-12(18)11-8-16-6-7-17(11)13(19)9-2-4-10(14)5-3-9/h2-5,11,16H,6-8H2,1H3,(H,15,18)/t11-/m0/s1
InChIKeyJSVOFMYTZPKHKW-NSHDSACASA-N
MW265.29 g/mol
LogP-0.01
Rot. Bonds2

About (2S)-1-(4-fluorobenzoyl)-N-methylpiperazine-2-carboxamide

(2S)-1-(4-fluorobenzoyl)-N-methylpiperazine-2-carboxamide (PubChem CID 124513939) has the molecular formula C13H16FN3O2 and a molecular weight of 265.29 g/mol. Its IUPAC name is (2S)-1-(4-fluorobenzoyl)-N-methylpiperazine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-(4-fluorobenzoyl)-N-methylpiperazine-2-carboxamide
PubChem CID124513939
Molecular FormulaC13H16FN3O2
Molecular Weight265.29 g/mol
Exact Mass265.12
IUPAC Name(2S)-1-(4-fluorobenzoyl)-N-methylpiperazine-2-carboxamide
SMILESCNC(=O)[C@@H]1CNCCN1C(=O)c1ccc(F)cc1
InChIInChI=1S/C13H16FN3O2/c1-15-12(18)11-8-16-6-7-17(11)13(19)9-2-4-10(14)5-3-9/h2-5,11,16H,6-8H2,1H3,(H,15,18)/t11-/m0/s1
InChIKeyJSVOFMYTZPKHKW-NSHDSACASA-N
XLogP-0.01
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-[2-(4-fluorophenyl)acetyl]-N-methylpiperazine-2-carboxamide
CID 124513931
1-(3,5-dibromobenzoyl)-N-methylpiperazine-2-carboxamide
CID 107973359
1-[3-(4-fluorophenyl)prop-2-enoyl]-N-methylpiperazine-2-carboxamide
CID 77100908
1-(3-bromo-4-chlorobenzoyl)-N-methylpiperazine-2-carboxamide
CID 107990506
(2S)-1-[3-(4-fluorophenyl)propanoyl]-N-methylpiperazine-2-carboxamide
CID 124968608
1-(2-chloro-3-fluorobenzoyl)-N-methylpiperazine-2-carboxamide
CID 81461747
1-(3-bromo-5-methylbenzoyl)-N-methylpiperazine-2-carboxamide
CID 115999662
1-(4-chloro-2,5-difluorobenzoyl)-N-methylpiperazine-2-carboxamide
CID 82772342
1-(3-hydroxy-2-methylbenzoyl)-N-methylpiperazine-2-carboxamide
CID 82830583
1-acetyl-N-methylpiperazine-2-carboxamide;hydrochloride
CID 171688200
1-(4-chloro-3-fluorobenzoyl)-N-ethylpiperazine-2-carboxamide
CID 107990513
methyl 1-(4-methoxybenzoyl)piperazine-2-carboxylate
CID 78454906

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-fluorobenzoyl)-N-methylpiperazine-2-carboxamide?
The IUPAC name of (2S)-1-(4-fluorobenzoyl)-N-methylpiperazine-2-carboxamide (CID 124513939) is (2S)-1-(4-fluorobenzoyl)-N-methylpiperazine-2-carboxamide.
What is the SMILES notation for (2S)-1-(4-fluorobenzoyl)-N-methylpiperazine-2-carboxamide?
The canonical SMILES for (2S)-1-(4-fluorobenzoyl)-N-methylpiperazine-2-carboxamide is CNC(=O)[C@@H]1CNCCN1C(=O)c1ccc(F)cc1.
What is the InChIKey of (2S)-1-(4-fluorobenzoyl)-N-methylpiperazine-2-carboxamide?
The InChIKey is JSVOFMYTZPKHKW-NSHDSACASA-N. The full InChI is InChI=1S/C13H16FN3O2/c1-15-12(18)11-8-16-6-7-17(11)13(19)9-2-4-10(14)5-3-9/h2-5,11,16H,6-8H2,1H3,(H,15,18)/t11-/m0/s1.
What are the key properties of (2S)-1-(4-fluorobenzoyl)-N-methylpiperazine-2-carboxamide?
(2S)-1-(4-fluorobenzoyl)-N-methylpiperazine-2-carboxamide has a molecular weight of 265.29 g/mol, XLogP of -0.01, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(4-fluorobenzoyl)-N-methylpiperazine-2-carboxamide is sourced from PubChem (CID 124513939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).