methyl N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]carbamate

C15H21N3O3 — CID 112993880

IUPACmethyl N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]carbamate
SMILESCOC(=O)NCC(=O)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C15H21N3O3/c1-21-15(20)16-11-14(19)18-9-7-17(8-10-18)12-13-5-3-2-4-6-13/h2-6H,7-12H2,1H3,(H,16,20)
InChIKeyYYGHRBZSNHHXGI-UHFFFAOYSA-N
MW291.35 g/mol
LogP0.69
Rot. Bonds4

About methyl N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]carbamate

methyl N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]carbamate (PubChem CID 112993880) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is methyl N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]carbamate
PubChem CID112993880
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Namemethyl N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]carbamate
SMILESCOC(=O)NCC(=O)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C15H21N3O3/c1-21-15(20)16-11-14(19)18-9-7-17(8-10-18)12-13-5-3-2-4-6-13/h2-6H,7-12H2,1H3,(H,16,20)
InChIKeyYYGHRBZSNHHXGI-UHFFFAOYSA-N
XLogP0.69
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]benzamide
CID 2095623
(2R)-2-amino-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]propanamide
CID 119872740
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-(2-methoxyethylamino)acetamide;dihydrochloride
CID 119872768
1,3-bis(4-benzylpiperazin-1-yl)propane-1,3-dione
CID 13023421
1-amino-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]cyclopropane-1-carboxamide
CID 119872708
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-phenoxyacetamide
CID 7779440
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-methyl-3-(methylamino)propanamide
CID 119872748
3-amino-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-methylbutanamide
CID 120503600
4-amino-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]pentanamide
CID 120565252
(2S)-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-ethoxybutanamide
CID 95161190
1-(4-benzylpiperazin-1-yl)-2-(butan-2-ylamino)ethanone
CID 60684325
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-4-phenoxybenzamide
CID 27671405

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]carbamate?
The IUPAC name of methyl N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]carbamate (CID 112993880) is methyl N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]carbamate.
What is the SMILES notation for methyl N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]carbamate?
The canonical SMILES for methyl N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]carbamate is COC(=O)NCC(=O)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of methyl N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]carbamate?
The InChIKey is YYGHRBZSNHHXGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-21-15(20)16-11-14(19)18-9-7-17(8-10-18)12-13-5-3-2-4-6-13/h2-6H,7-12H2,1H3,(H,16,20).
What are the key properties of methyl N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]carbamate?
methyl N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]carbamate has a molecular weight of 291.35 g/mol, XLogP of 0.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]carbamate is sourced from PubChem (CID 112993880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).