2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-(2-imidazol-1-ylethyl)-N-methylacetamide

C17H29N5O2 — CID 56858692

IUPAC2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-(2-imidazol-1-ylethyl)-N-methylacetamide
SMILESCN(CCn1ccnc1)C(=O)CC1C(=O)NCCN1CC(C)(C)C
InChIInChI=1S/C17H29N5O2/c1-17(2,3)12-22-8-6-19-16(24)14(22)11-15(23)20(4)9-10-21-7-5-18-13-21/h5,7,13-14H,6,8-12H2,1-4H3,(H,19,24)
InChIKeyPTBCIXBCVTTXIO-UHFFFAOYSA-N
MW335.45 g/mol
LogP0.58
Rot. Bonds6

About 2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-(2-imidazol-1-ylethyl)-N-methylacetamide

2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-(2-imidazol-1-ylethyl)-N-methylacetamide (PubChem CID 56858692) has the molecular formula C17H29N5O2 and a molecular weight of 335.45 g/mol. Its IUPAC name is 2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-(2-imidazol-1-ylethyl)-N-methylacetamide.

Molecular Properties

Compound Name2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-(2-imidazol-1-ylethyl)-N-methylacetamide
PubChem CID56858692
Molecular FormulaC17H29N5O2
Molecular Weight335.45 g/mol
Exact Mass335.23
IUPAC Name2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-(2-imidazol-1-ylethyl)-N-methylacetamide
SMILESCN(CCn1ccnc1)C(=O)CC1C(=O)NCCN1CC(C)(C)C
InChIInChI=1S/C17H29N5O2/c1-17(2,3)12-22-8-6-19-16(24)14(22)11-15(23)20(4)9-10-21-7-5-18-13-21/h5,7,13-14H,6,8-12H2,1-4H3,(H,19,24)
InChIKeyPTBCIXBCVTTXIO-UHFFFAOYSA-N
XLogP0.58
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-methyl-N-(quinolin-2-ylmethyl)acetamide
CID 45194166
N-(3-hydroxy-3-methylbutyl)-N-methyl-2-[(2R)-1-[(4-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 95729601
2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-[(2-fluorophenyl)methyl]-N-propylacetamide
CID 56896629
N-methyl-2-[(2R)-1-(3-methylbut-2-enyl)-3-oxopiperazin-2-yl]-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide
CID 25455154
N-ethyl-N-methyl-2-[(2S)-3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetamide
CID 95723897
N-methyl-2-[1-[(2-methylphenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-morpholin-4-ylethyl)acetamide
CID 45242796
2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)acetamide
CID 56882602
N-(2-hydroxyethyl)-N-methyl-2-[3-oxo-1-[(E)-3-phenylprop-2-enyl]piperazin-2-yl]acetamide
CID 56901443
2-[(2R)-1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]acetamide
CID 136733916
N-methyl-2-[(2S)-1-[(5-methylfuran-2-yl)methyl]-3-oxopiperazin-2-yl]-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 26321929
N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-[(2R)-1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]acetamide
CID 136782800
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]acetamide
CID 45171750

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-(2-imidazol-1-ylethyl)-N-methylacetamide?
The IUPAC name of 2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-(2-imidazol-1-ylethyl)-N-methylacetamide (CID 56858692) is 2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-(2-imidazol-1-ylethyl)-N-methylacetamide.
What is the SMILES notation for 2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-(2-imidazol-1-ylethyl)-N-methylacetamide?
The canonical SMILES for 2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-(2-imidazol-1-ylethyl)-N-methylacetamide is CN(CCn1ccnc1)C(=O)CC1C(=O)NCCN1CC(C)(C)C.
What is the InChIKey of 2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-(2-imidazol-1-ylethyl)-N-methylacetamide?
The InChIKey is PTBCIXBCVTTXIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O2/c1-17(2,3)12-22-8-6-19-16(24)14(22)11-15(23)20(4)9-10-21-7-5-18-13-21/h5,7,13-14H,6,8-12H2,1-4H3,(H,19,24).
What are the key properties of 2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-(2-imidazol-1-ylethyl)-N-methylacetamide?
2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-(2-imidazol-1-ylethyl)-N-methylacetamide has a molecular weight of 335.45 g/mol, XLogP of 0.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-(2-imidazol-1-ylethyl)-N-methylacetamide is sourced from PubChem (CID 56858692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).