(2S)-4-benzyl-N-methyl-1-(2-methylpropanoyl)piperazine-2-carboxamide

C17H25N3O2 — CID 125020372

IUPAC(2S)-4-benzyl-N-methyl-1-(2-methylpropanoyl)piperazine-2-carboxamide
SMILESCNC(=O)[C@@H]1CN(Cc2ccccc2)CCN1C(=O)C(C)C
InChIInChI=1S/C17H25N3O2/c1-13(2)17(22)20-10-9-19(12-15(20)16(21)18-3)11-14-7-5-4-6-8-14/h4-8,13,15H,9-12H2,1-3H3,(H,18,21)/t15-/m0/s1
InChIKeyYCGMOCWIDGDUAO-HNNXBMFYSA-N
MW303.41 g/mol
LogP1.10
Rot. Bonds4

About (2S)-4-benzyl-N-methyl-1-(2-methylpropanoyl)piperazine-2-carboxamide

(2S)-4-benzyl-N-methyl-1-(2-methylpropanoyl)piperazine-2-carboxamide (PubChem CID 125020372) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is (2S)-4-benzyl-N-methyl-1-(2-methylpropanoyl)piperazine-2-carboxamide.

Molecular Properties

Compound Name(2S)-4-benzyl-N-methyl-1-(2-methylpropanoyl)piperazine-2-carboxamide
PubChem CID125020372
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name(2S)-4-benzyl-N-methyl-1-(2-methylpropanoyl)piperazine-2-carboxamide
SMILESCNC(=O)[C@@H]1CN(Cc2ccccc2)CCN1C(=O)C(C)C
InChIInChI=1S/C17H25N3O2/c1-13(2)17(22)20-10-9-19(12-15(20)16(21)18-3)11-14-7-5-4-6-8-14/h4-8,13,15H,9-12H2,1-3H3,(H,18,21)/t15-/m0/s1
InChIKeyYCGMOCWIDGDUAO-HNNXBMFYSA-N
XLogP1.10
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-benzyl-N-methyl-1-(pyridine-2-carbonyl)piperazine-2-carboxamide
CID 110086108
4-benzyl-1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-N-methylpiperazine-2-carboxamide
CID 175657840
(2S)-4-benzyl-N-methyl-1-pyrimidin-2-ylpiperazine-2-carboxamide
CID 95826161
1-acetyl-N-methyl-4-(2-phenylethyl)piperazine-2-carboxamide
CID 110086145
(2R)-1-(2-methylpropanoyl)-4-(2-phenylethyl)piperazine-2-carboxamide
CID 124962044
(2S)-1-(1-benzyl-4-methylpiperidine-4-carbonyl)-N-methyl-4-(2-phenylethyl)piperazine-2-carboxamide
CID 124979390
(2S)-4-benzyl-2-(2-hydroxypropyl)piperazine-1-carboxylic acid
CID 71268527
(2S)-4-benzyl-N-(2,3-dihydro-1H-inden-2-yl)-1-[(2S)-3-methyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]piperazine-2-carboxamide
CID 68798638
4-benzyl-N-methyl-1-[3-(pyrimidin-2-ylamino)benzoyl]piperazine-2-carboxamide
CID 110076313
(2S)-4-benzyl-1-[2-(2-ethylanilino)-2-oxoethyl]-N-methylpiperazine-2-carboxamide
CID 124990413
4-benzyl-1-[4-(4-methoxyphenyl)oxane-4-carbonyl]-N-methylpiperazine-2-carboxamide
CID 132779506
(2S)-N-methyl-1-propan-2-yl-4-(pyridin-4-ylmethyl)piperazine-2-carboxamide
CID 124807912

Frequently Asked Questions

What is the IUPAC name of (2S)-4-benzyl-N-methyl-1-(2-methylpropanoyl)piperazine-2-carboxamide?
The IUPAC name of (2S)-4-benzyl-N-methyl-1-(2-methylpropanoyl)piperazine-2-carboxamide (CID 125020372) is (2S)-4-benzyl-N-methyl-1-(2-methylpropanoyl)piperazine-2-carboxamide.
What is the SMILES notation for (2S)-4-benzyl-N-methyl-1-(2-methylpropanoyl)piperazine-2-carboxamide?
The canonical SMILES for (2S)-4-benzyl-N-methyl-1-(2-methylpropanoyl)piperazine-2-carboxamide is CNC(=O)[C@@H]1CN(Cc2ccccc2)CCN1C(=O)C(C)C.
What is the InChIKey of (2S)-4-benzyl-N-methyl-1-(2-methylpropanoyl)piperazine-2-carboxamide?
The InChIKey is YCGMOCWIDGDUAO-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-13(2)17(22)20-10-9-19(12-15(20)16(21)18-3)11-14-7-5-4-6-8-14/h4-8,13,15H,9-12H2,1-3H3,(H,18,21)/t15-/m0/s1.
What are the key properties of (2S)-4-benzyl-N-methyl-1-(2-methylpropanoyl)piperazine-2-carboxamide?
(2S)-4-benzyl-N-methyl-1-(2-methylpropanoyl)piperazine-2-carboxamide has a molecular weight of 303.41 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-benzyl-N-methyl-1-(2-methylpropanoyl)piperazine-2-carboxamide is sourced from PubChem (CID 125020372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).