(2S)-4-acetyl-1-[2-(2-fluorophenyl)acetyl]piperazine-2-carboxamide

C15H18FN3O3 — CID 95811272

IUPAC(2S)-4-acetyl-1-[2-(2-fluorophenyl)acetyl]piperazine-2-carboxamide
SMILESCC(=O)N1CCN(C(=O)Cc2ccccc2F)[C@H](C(N)=O)C1
InChIInChI=1S/C15H18FN3O3/c1-10(20)18-6-7-19(13(9-18)15(17)22)14(21)8-11-4-2-3-5-12(11)16/h2-5,13H,6-9H2,1H3,(H2,17,22)/t13-/m0/s1
InChIKeyMDDNPJUAOIFJTR-ZDUSSCGKSA-N
MW307.32 g/mol
LogP-0.09
Rot. Bonds3

About (2S)-4-acetyl-1-[2-(2-fluorophenyl)acetyl]piperazine-2-carboxamide

(2S)-4-acetyl-1-[2-(2-fluorophenyl)acetyl]piperazine-2-carboxamide (PubChem CID 95811272) has the molecular formula C15H18FN3O3 and a molecular weight of 307.32 g/mol. Its IUPAC name is (2S)-4-acetyl-1-[2-(2-fluorophenyl)acetyl]piperazine-2-carboxamide.

Molecular Properties

Compound Name(2S)-4-acetyl-1-[2-(2-fluorophenyl)acetyl]piperazine-2-carboxamide
PubChem CID95811272
Molecular FormulaC15H18FN3O3
Molecular Weight307.32 g/mol
Exact Mass307.13
IUPAC Name(2S)-4-acetyl-1-[2-(2-fluorophenyl)acetyl]piperazine-2-carboxamide
SMILESCC(=O)N1CCN(C(=O)Cc2ccccc2F)[C@H](C(N)=O)C1
InChIInChI=1S/C15H18FN3O3/c1-10(20)18-6-7-19(13(9-18)15(17)22)14(21)8-11-4-2-3-5-12(11)16/h2-5,13H,6-9H2,1H3,(H2,17,22)/t13-/m0/s1
InChIKeyMDDNPJUAOIFJTR-ZDUSSCGKSA-N
XLogP-0.09
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.32
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-acetyl-4-[2-(2-fluorophenyl)acetyl]-1,4-diazepane-6-carboxamide
CID 127245309
(2R)-1-acetyl-4-[(2-fluorophenyl)methyl]piperazine-2-carboxamide
CID 124972311
(6R)-1-acetyl-4-[3-(2-fluorophenyl)propanoyl]-1,4-diazepane-6-carboxamide
CID 124982435
1-(2,4-dimethylpiperazin-1-yl)-2-(2-fluorophenyl)ethanone
CID 110707809
(2R)-4-acetyl-1-(2-methylpropanoyl)piperazine-2-carboxamide
CID 124954921
4-acetyl-N-methyl-1-(2-phenylacetyl)piperazine-2-carboxamide
CID 110257743
2-(2-fluorophenyl)-1-[(2S)-4-methyl-2-phenylpiperazin-1-yl]ethanone
CID 38169510
(2R)-4-acetyl-N,N-dimethyl-1-(2-phenylacetyl)piperazine-2-carboxamide
CID 95826147
1-[3-[(2-fluorophenyl)methoxy]piperidin-1-yl]ethanone
CID 42656380
1-acetyl-4-(3-phenylpropanoyl)piperazine-2-carboxamide
CID 110086044
(2R)-1-acetyl-4-[3-(2-methoxyphenyl)propanoyl]piperazine-2-carboxamide
CID 125004165
(2S)-4-acetyl-1-[(2-fluorophenyl)methyl]-N-methylpiperazine-2-carboxamide
CID 124946093

Frequently Asked Questions

What is the IUPAC name of (2S)-4-acetyl-1-[2-(2-fluorophenyl)acetyl]piperazine-2-carboxamide?
The IUPAC name of (2S)-4-acetyl-1-[2-(2-fluorophenyl)acetyl]piperazine-2-carboxamide (CID 95811272) is (2S)-4-acetyl-1-[2-(2-fluorophenyl)acetyl]piperazine-2-carboxamide.
What is the SMILES notation for (2S)-4-acetyl-1-[2-(2-fluorophenyl)acetyl]piperazine-2-carboxamide?
The canonical SMILES for (2S)-4-acetyl-1-[2-(2-fluorophenyl)acetyl]piperazine-2-carboxamide is CC(=O)N1CCN(C(=O)Cc2ccccc2F)[C@H](C(N)=O)C1.
What is the InChIKey of (2S)-4-acetyl-1-[2-(2-fluorophenyl)acetyl]piperazine-2-carboxamide?
The InChIKey is MDDNPJUAOIFJTR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H18FN3O3/c1-10(20)18-6-7-19(13(9-18)15(17)22)14(21)8-11-4-2-3-5-12(11)16/h2-5,13H,6-9H2,1H3,(H2,17,22)/t13-/m0/s1.
What are the key properties of (2S)-4-acetyl-1-[2-(2-fluorophenyl)acetyl]piperazine-2-carboxamide?
(2S)-4-acetyl-1-[2-(2-fluorophenyl)acetyl]piperazine-2-carboxamide has a molecular weight of 307.32 g/mol, XLogP of -0.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-acetyl-1-[2-(2-fluorophenyl)acetyl]piperazine-2-carboxamide is sourced from PubChem (CID 95811272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).