(2R)-1-(2-methylpropanoyl)-4-(2-phenylethyl)piperazine-2-carboxamide

C17H25N3O2 — CID 124962044

IUPAC(2R)-1-(2-methylpropanoyl)-4-(2-phenylethyl)piperazine-2-carboxamide
SMILESCC(C)C(=O)N1CCN(CCc2ccccc2)C[C@@H]1C(N)=O
InChIInChI=1S/C17H25N3O2/c1-13(2)17(22)20-11-10-19(12-15(20)16(18)21)9-8-14-6-4-3-5-7-14/h3-7,13,15H,8-12H2,1-2H3,(H2,18,21)/t15-/m1/s1
InChIKeyHFXFUGOYBCFMPN-OAHLLOKOSA-N
MW303.41 g/mol
LogP0.88
Rot. Bonds5

About (2R)-1-(2-methylpropanoyl)-4-(2-phenylethyl)piperazine-2-carboxamide

(2R)-1-(2-methylpropanoyl)-4-(2-phenylethyl)piperazine-2-carboxamide (PubChem CID 124962044) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is (2R)-1-(2-methylpropanoyl)-4-(2-phenylethyl)piperazine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-(2-methylpropanoyl)-4-(2-phenylethyl)piperazine-2-carboxamide
PubChem CID124962044
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name(2R)-1-(2-methylpropanoyl)-4-(2-phenylethyl)piperazine-2-carboxamide
SMILESCC(C)C(=O)N1CCN(CCc2ccccc2)C[C@@H]1C(N)=O
InChIInChI=1S/C17H25N3O2/c1-13(2)17(22)20-11-10-19(12-15(20)16(18)21)9-8-14-6-4-3-5-7-14/h3-7,13,15H,8-12H2,1-2H3,(H2,18,21)/t15-/m1/s1
InChIKeyHFXFUGOYBCFMPN-OAHLLOKOSA-N
XLogP0.88
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(2,6-dioxopiperidin-1-yl)propanoyl]-4-(2-phenylethyl)piperazine-2-carboxamide
CID 175658819
4-(2-phenylethyl)-1-(1,3-thiazole-4-carbonyl)piperazine-2-carboxamide
CID 175658374
(2S)-4-benzyl-N-methyl-1-(2-methylpropanoyl)piperazine-2-carboxamide
CID 125020372
(2S)-1-acetyl-4-benzylpiperazine-2-carboxamide
CID 95811257
1-acetyl-4-benzylpiperazine-2-carboxamide
CID 110250206
(2R)-1-[2-[2-(methoxymethyl)benzimidazol-1-yl]acetyl]-4-(2-phenylethyl)piperazine-2-carboxamide
CID 129458897
1-acetyl-N-methyl-4-(2-phenylethyl)piperazine-2-carboxamide
CID 110086145
(2S)-1-(3-phenylpropanoyl)-4-propan-2-ylpiperazine-2-carboxamide
CID 124951183
(2R)-2-amino-1-[4-(2-phenylethyl)piperazin-1-yl]propan-1-one
CID 119838010
(2S)-1-[4-methoxy-3-(pyrazol-1-ylmethyl)benzoyl]-4-(2-phenylethyl)piperazine-2-carboxamide
CID 124977354
(2R)-1-[4-methoxy-3-(pyrazol-1-ylmethyl)benzoyl]-4-(2-phenylethyl)piperazine-2-carboxamide
CID 124977353
(3S)-1-(2-phenylethyl)piperidine-3-carboxamide
CID 782930

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2-methylpropanoyl)-4-(2-phenylethyl)piperazine-2-carboxamide?
The IUPAC name of (2R)-1-(2-methylpropanoyl)-4-(2-phenylethyl)piperazine-2-carboxamide (CID 124962044) is (2R)-1-(2-methylpropanoyl)-4-(2-phenylethyl)piperazine-2-carboxamide.
What is the SMILES notation for (2R)-1-(2-methylpropanoyl)-4-(2-phenylethyl)piperazine-2-carboxamide?
The canonical SMILES for (2R)-1-(2-methylpropanoyl)-4-(2-phenylethyl)piperazine-2-carboxamide is CC(C)C(=O)N1CCN(CCc2ccccc2)C[C@@H]1C(N)=O.
What is the InChIKey of (2R)-1-(2-methylpropanoyl)-4-(2-phenylethyl)piperazine-2-carboxamide?
The InChIKey is HFXFUGOYBCFMPN-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-13(2)17(22)20-11-10-19(12-15(20)16(18)21)9-8-14-6-4-3-5-7-14/h3-7,13,15H,8-12H2,1-2H3,(H2,18,21)/t15-/m1/s1.
What are the key properties of (2R)-1-(2-methylpropanoyl)-4-(2-phenylethyl)piperazine-2-carboxamide?
(2R)-1-(2-methylpropanoyl)-4-(2-phenylethyl)piperazine-2-carboxamide has a molecular weight of 303.41 g/mol, XLogP of 0.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2-methylpropanoyl)-4-(2-phenylethyl)piperazine-2-carboxamide is sourced from PubChem (CID 124962044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).