2-methylpropyl 2-[1-[2-[benzyl(methyl)amino]acetyl]-3-oxopiperazin-2-yl]acetate

C20H29N3O4 — CID 54808811

IUPAC2-methylpropyl 2-[1-[2-[benzyl(methyl)amino]acetyl]-3-oxopiperazin-2-yl]acetate
SMILESCC(C)COC(=O)CC1C(=O)NCCN1C(=O)CN(C)Cc1ccccc1
InChIInChI=1S/C20H29N3O4/c1-15(2)14-27-19(25)11-17-20(26)21-9-10-23(17)18(24)13-22(3)12-16-7-5-4-6-8-16/h4-8,15,17H,9-14H2,1-3H3,(H,21,26)
InChIKeyBETLPNJBXCBDAG-UHFFFAOYSA-N
MW375.47 g/mol
LogP1.03
Rot. Bonds8

About 2-methylpropyl 2-[1-[2-[benzyl(methyl)amino]acetyl]-3-oxopiperazin-2-yl]acetate

2-methylpropyl 2-[1-[2-[benzyl(methyl)amino]acetyl]-3-oxopiperazin-2-yl]acetate (PubChem CID 54808811) has the molecular formula C20H29N3O4 and a molecular weight of 375.47 g/mol. Its IUPAC name is 2-methylpropyl 2-[1-[2-[benzyl(methyl)amino]acetyl]-3-oxopiperazin-2-yl]acetate.

Molecular Properties

Compound Name2-methylpropyl 2-[1-[2-[benzyl(methyl)amino]acetyl]-3-oxopiperazin-2-yl]acetate
PubChem CID54808811
Molecular FormulaC20H29N3O4
Molecular Weight375.47 g/mol
Exact Mass375.22
IUPAC Name2-methylpropyl 2-[1-[2-[benzyl(methyl)amino]acetyl]-3-oxopiperazin-2-yl]acetate
SMILESCC(C)COC(=O)CC1C(=O)NCCN1C(=O)CN(C)Cc1ccccc1
InChIInChI=1S/C20H29N3O4/c1-15(2)14-27-19(25)11-17-20(26)21-9-10-23(17)18(24)13-22(3)12-16-7-5-4-6-8-16/h4-8,15,17H,9-14H2,1-3H3,(H,21,26)
InChIKeyBETLPNJBXCBDAG-UHFFFAOYSA-N
XLogP1.03
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

butyl 2-[1-[2-[benzyl(methyl)amino]acetyl]-3-oxopiperazin-2-yl]acetate
CID 54808784
2-methylpropyl 2-[3-oxo-1-[2-(2-propan-2-ylanilino)acetyl]piperazin-2-yl]acetate
CID 54823589
2-methylpropyl 2-[3-oxo-1-[2-(2-phenylethoxy)benzoyl]piperazin-2-yl]acetate
CID 19628199
2-methylpropyl 2-[1-[2-(2-chloroanilino)acetyl]-3-oxopiperazin-2-yl]acetate
CID 54810298
2-methylpropyl 2-[1-[2-(tert-butylamino)acetyl]-3-oxopiperazin-2-yl]acetate
CID 54813767
benzyl 2-[1-[2-(2-methylpropoxy)benzoyl]-3-oxopiperazin-2-yl]acetate
CID 4945449
2-phenylethyl 2-[(2S)-1-(2-bromoacetyl)-3-oxopiperazin-2-yl]acetate
CID 93083206
methyl 3-oxo-3-[3-oxo-2-[2-oxo-2-(3-phenylpropoxy)ethyl]piperazin-1-yl]propanoate
CID 43886925
2-methylpropyl 2-[1-[2-(3-chloro-2-methylanilino)acetyl]-3-oxopiperazin-2-yl]acetate
CID 54812937
3-phenylpropyl 2-[(2R)-1-(2-bromoacetyl)-3-oxopiperazin-2-yl]acetate
CID 93083201
2-methylpropyl 2-[1-[2-(2,4-dichloroanilino)acetyl]-3-oxopiperazin-2-yl]acetate
CID 54810912
2-methylpropyl 2-[3-oxo-1-[2-[3-(trifluoromethyl)anilino]acetyl]piperazin-2-yl]acetate
CID 54833534

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 2-[1-[2-[benzyl(methyl)amino]acetyl]-3-oxopiperazin-2-yl]acetate?
The IUPAC name of 2-methylpropyl 2-[1-[2-[benzyl(methyl)amino]acetyl]-3-oxopiperazin-2-yl]acetate (CID 54808811) is 2-methylpropyl 2-[1-[2-[benzyl(methyl)amino]acetyl]-3-oxopiperazin-2-yl]acetate.
What is the SMILES notation for 2-methylpropyl 2-[1-[2-[benzyl(methyl)amino]acetyl]-3-oxopiperazin-2-yl]acetate?
The canonical SMILES for 2-methylpropyl 2-[1-[2-[benzyl(methyl)amino]acetyl]-3-oxopiperazin-2-yl]acetate is CC(C)COC(=O)CC1C(=O)NCCN1C(=O)CN(C)Cc1ccccc1.
What is the InChIKey of 2-methylpropyl 2-[1-[2-[benzyl(methyl)amino]acetyl]-3-oxopiperazin-2-yl]acetate?
The InChIKey is BETLPNJBXCBDAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O4/c1-15(2)14-27-19(25)11-17-20(26)21-9-10-23(17)18(24)13-22(3)12-16-7-5-4-6-8-16/h4-8,15,17H,9-14H2,1-3H3,(H,21,26).
What are the key properties of 2-methylpropyl 2-[1-[2-[benzyl(methyl)amino]acetyl]-3-oxopiperazin-2-yl]acetate?
2-methylpropyl 2-[1-[2-[benzyl(methyl)amino]acetyl]-3-oxopiperazin-2-yl]acetate has a molecular weight of 375.47 g/mol, XLogP of 1.03, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 2-[1-[2-[benzyl(methyl)amino]acetyl]-3-oxopiperazin-2-yl]acetate is sourced from PubChem (CID 54808811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).