2-[(2R)-1-benzyl-3-oxopiperazin-2-yl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide

C23H36N4O2 — CID 26330020

IUPAC2-[(2R)-1-benzyl-3-oxopiperazin-2-yl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
SMILESCN(C(=O)C[C@@H]1C(=O)NCCN1Cc1ccccc1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C23H36N4O2/c1-22(2)14-18(15-23(3,4)25-22)26(5)20(28)13-19-21(29)24-11-12-27(19)16-17-9-7-6-8-10-17/h6-10,18-19,25H,11-16H2,1-5H3,(H,24,29)/t19-/m1/s1
InChIKeyRPMSETUUXVDSDQ-LJQANCHMSA-N
MW400.57 g/mol
LogP2.14
Rot. Bonds5

About 2-[(2R)-1-benzyl-3-oxopiperazin-2-yl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide

2-[(2R)-1-benzyl-3-oxopiperazin-2-yl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide (PubChem CID 26330020) has the molecular formula C23H36N4O2 and a molecular weight of 400.57 g/mol. Its IUPAC name is 2-[(2R)-1-benzyl-3-oxopiperazin-2-yl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-[(2R)-1-benzyl-3-oxopiperazin-2-yl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
PubChem CID26330020
Molecular FormulaC23H36N4O2
Molecular Weight400.57 g/mol
Exact Mass400.28
IUPAC Name2-[(2R)-1-benzyl-3-oxopiperazin-2-yl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
SMILESCN(C(=O)C[C@@H]1C(=O)NCCN1Cc1ccccc1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C23H36N4O2/c1-22(2)14-18(15-23(3,4)25-22)26(5)20(28)13-19-21(29)24-11-12-27(19)16-17-9-7-6-8-10-17/h6-10,18-19,25H,11-16H2,1-5H3,(H,24,29)/t19-/m1/s1
InChIKeyRPMSETUUXVDSDQ-LJQANCHMSA-N
XLogP2.14
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.57
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-2-[3-oxo-1-[(4-phenylphenyl)methyl]piperazin-2-yl]acetamide
CID 56891155
3-[2-(azocan-1-yl)-2-oxoethyl]-4-benzylpiperazin-2-one
CID 46984429
N-cyclohexyl-2-[1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methylacetamide
CID 24791629
4-benzyl-3-[2-(4-ethylsulfonylpiperazin-1-yl)-2-oxoethyl]piperazin-2-one
CID 50968053
2-(1-benzyl-3-oxopiperazin-2-yl)-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]acetamide
CID 50953336
(3R)-4-benzyl-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]piperazin-2-one
CID 26333955
N-methyl-2-[(2S)-3-oxo-1-[(3-phenoxyphenyl)methyl]piperazin-2-yl]-N-propan-2-ylacetamide
CID 95720629
(3S)-4-benzyl-3-methylpiperazin-2-one
CID 129362839
N-methyl-2-[3-oxo-1-[(3-phenoxyphenyl)methyl]piperazin-2-yl]-N-propylacetamide
CID 56884358
2-[(2R)-1-[(3-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(2-phenylethyl)acetamide
CID 42305682
2-[(2S)-3-oxo-1-[(4-phenylphenyl)methyl]piperazin-2-yl]acetamide
CID 95727898
N-ethyl-N-methyl-2-[(2S)-3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetamide
CID 95723897

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-benzyl-3-oxopiperazin-2-yl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide?
The IUPAC name of 2-[(2R)-1-benzyl-3-oxopiperazin-2-yl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide (CID 26330020) is 2-[(2R)-1-benzyl-3-oxopiperazin-2-yl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2-[(2R)-1-benzyl-3-oxopiperazin-2-yl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide?
The canonical SMILES for 2-[(2R)-1-benzyl-3-oxopiperazin-2-yl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide is CN(C(=O)C[C@@H]1C(=O)NCCN1Cc1ccccc1)C1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 2-[(2R)-1-benzyl-3-oxopiperazin-2-yl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide?
The InChIKey is RPMSETUUXVDSDQ-LJQANCHMSA-N. The full InChI is InChI=1S/C23H36N4O2/c1-22(2)14-18(15-23(3,4)25-22)26(5)20(28)13-19-21(29)24-11-12-27(19)16-17-9-7-6-8-10-17/h6-10,18-19,25H,11-16H2,1-5H3,(H,24,29)/t19-/m1/s1.
What are the key properties of 2-[(2R)-1-benzyl-3-oxopiperazin-2-yl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide?
2-[(2R)-1-benzyl-3-oxopiperazin-2-yl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide has a molecular weight of 400.57 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-benzyl-3-oxopiperazin-2-yl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide is sourced from PubChem (CID 26330020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).