(2S)-1-acetyl-N-(2-phenylethyl)piperazine-2-carboxamide

C15H21N3O2 — CID 124958895

IUPAC(2S)-1-acetyl-N-(2-phenylethyl)piperazine-2-carboxamide
SMILESCC(=O)N1CCNC[C@H]1C(=O)NCCc1ccccc1
InChIInChI=1S/C15H21N3O2/c1-12(19)18-10-9-16-11-14(18)15(20)17-8-7-13-5-3-2-4-6-13/h2-6,14,16H,7-11H2,1H3,(H,17,20)/t14-/m0/s1
InChIKeyGJINAZUUKZQIHK-AWEZNQCLSA-N
MW275.35 g/mol
LogP0.17
Rot. Bonds4

About (2S)-1-acetyl-N-(2-phenylethyl)piperazine-2-carboxamide

(2S)-1-acetyl-N-(2-phenylethyl)piperazine-2-carboxamide (PubChem CID 124958895) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is (2S)-1-acetyl-N-(2-phenylethyl)piperazine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-acetyl-N-(2-phenylethyl)piperazine-2-carboxamide
PubChem CID124958895
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name(2S)-1-acetyl-N-(2-phenylethyl)piperazine-2-carboxamide
SMILESCC(=O)N1CCNC[C@H]1C(=O)NCCc1ccccc1
InChIInChI=1S/C15H21N3O2/c1-12(19)18-10-9-16-11-14(18)15(20)17-8-7-13-5-3-2-4-6-13/h2-6,14,16H,7-11H2,1H3,(H,17,20)/t14-/m0/s1
InChIKeyGJINAZUUKZQIHK-AWEZNQCLSA-N
XLogP0.17
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4R)-1-acetyl-4-hydroxy-N-(2-phenylethyl)pyrrolidine-2-carboxamide
CID 91982515
(3R,4R)-3-N,4-N-bis(2-phenylethyl)pyrrolidine-3,4-dicarboxamide
CID 154961382
2-[(2R)-2-methylpiperazin-1-yl]-N-(2-phenylethyl)acetamide
CID 82713294
1-acetyl-N-methylpiperazine-2-carboxamide;hydrochloride
CID 171688200
2-(pyridin-3-ylmethylcarbamoyl)piperazine-1-carboxylic acid
CID 118137995
1-N-benzylpiperazine-1,2-dicarboxamide
CID 107654160
(2R)-1-methylsulfonyl-N-(2-phenylethyl)pyrrolidine-2-carboxamide
CID 39855260
(3R,4R)-3-N-[2-(4-fluorophenyl)ethyl]-4-N-(2-phenylethyl)pyrrolidine-3,4-dicarboxamide
CID 154961335
1-O-benzyl 2-O-methyl piperazine-1,2-dicarboxylate
CID 14751355
1-methyl-N-(2-thiophen-2-ylethyl)piperazine-2-carboxamide
CID 115177853
(2S)-N-(6-methyl-3-pyridinyl)-1-(4-phenylbutanoyl)piperazine-2-carboxamide
CID 95725095
(4S)-3-methyl-2-oxo-N-(2-phenylethyl)-1,3-oxazolidine-4-carboxamide
CID 50851820

Frequently Asked Questions

What is the IUPAC name of (2S)-1-acetyl-N-(2-phenylethyl)piperazine-2-carboxamide?
The IUPAC name of (2S)-1-acetyl-N-(2-phenylethyl)piperazine-2-carboxamide (CID 124958895) is (2S)-1-acetyl-N-(2-phenylethyl)piperazine-2-carboxamide.
What is the SMILES notation for (2S)-1-acetyl-N-(2-phenylethyl)piperazine-2-carboxamide?
The canonical SMILES for (2S)-1-acetyl-N-(2-phenylethyl)piperazine-2-carboxamide is CC(=O)N1CCNC[C@H]1C(=O)NCCc1ccccc1.
What is the InChIKey of (2S)-1-acetyl-N-(2-phenylethyl)piperazine-2-carboxamide?
The InChIKey is GJINAZUUKZQIHK-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-12(19)18-10-9-16-11-14(18)15(20)17-8-7-13-5-3-2-4-6-13/h2-6,14,16H,7-11H2,1H3,(H,17,20)/t14-/m0/s1.
What are the key properties of (2S)-1-acetyl-N-(2-phenylethyl)piperazine-2-carboxamide?
(2S)-1-acetyl-N-(2-phenylethyl)piperazine-2-carboxamide has a molecular weight of 275.35 g/mol, XLogP of 0.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-acetyl-N-(2-phenylethyl)piperazine-2-carboxamide is sourced from PubChem (CID 124958895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).