[2-(4-methylpiperazine-1-carbonyl)phenyl] acetate

C14H18N2O3 — CID 3364614

IUPAC[2-(4-methylpiperazine-1-carbonyl)phenyl] acetate
SMILESCC(=O)Oc1ccccc1C(=O)N1CCN(C)CC1
InChIInChI=1S/C14H18N2O3/c1-11(17)19-13-6-4-3-5-12(13)14(18)16-9-7-15(2)8-10-16/h3-6H,7-10H2,1-2H3
InChIKeyGPRYWGHMUDWHQN-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.00
Rot. Bonds2

About [2-(4-methylpiperazine-1-carbonyl)phenyl] acetate

[2-(4-methylpiperazine-1-carbonyl)phenyl] acetate (PubChem CID 3364614) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is [2-(4-methylpiperazine-1-carbonyl)phenyl] acetate.

Molecular Properties

Compound Name[2-(4-methylpiperazine-1-carbonyl)phenyl] acetate
PubChem CID3364614
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name[2-(4-methylpiperazine-1-carbonyl)phenyl] acetate
SMILESCC(=O)Oc1ccccc1C(=O)N1CCN(C)CC1
InChIInChI=1S/C14H18N2O3/c1-11(17)19-13-6-4-3-5-12(13)14(18)16-9-7-15(2)8-10-16/h3-6H,7-10H2,1-2H3
InChIKeyGPRYWGHMUDWHQN-UHFFFAOYSA-N
XLogP1.00
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[2-[4-(3-methylbut-2-enyl)piperazine-1-carbonyl]phenyl] acetate
CID 23968833
(2-methylphenyl)-(4-methylpiperazin-1-yl)methanone
CID 904148
[2-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]phenyl] acetate
CID 669506
[2-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]phenyl] acetate
CID 5018131
[2-[4-[2-[(4-methoxybenzoyl)amino]ethyl]piperazine-1-carbonyl]phenyl] acetate
CID 41136272
1-[4-(2-ethoxybenzoyl)piperazin-1-yl]ethanone
CID 78795110
2-[2-(4-methylpiperazine-1-carbonyl)phenyl]acetic acid
CID 114199768
potassium;2-acetyloxybenzoic acid;chloride
CID 161210106
2-acetyloxybenzoic acid;ethene
CID 67877309
[2-(morpholine-4-carbonyl)phenyl] N,N-dimethylcarbamate
CID 122368109
[3-(4-methylpiperazine-1-carbonyl)phenyl] acetate
CID 17308715
[2-(pyrrolidine-1-carbonyl)phenyl] 3-sulfanylpropanoate
CID 57178840

Frequently Asked Questions

What is the IUPAC name of [2-(4-methylpiperazine-1-carbonyl)phenyl] acetate?
The IUPAC name of [2-(4-methylpiperazine-1-carbonyl)phenyl] acetate (CID 3364614) is [2-(4-methylpiperazine-1-carbonyl)phenyl] acetate.
What is the SMILES notation for [2-(4-methylpiperazine-1-carbonyl)phenyl] acetate?
The canonical SMILES for [2-(4-methylpiperazine-1-carbonyl)phenyl] acetate is CC(=O)Oc1ccccc1C(=O)N1CCN(C)CC1.
What is the InChIKey of [2-(4-methylpiperazine-1-carbonyl)phenyl] acetate?
The InChIKey is GPRYWGHMUDWHQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-11(17)19-13-6-4-3-5-12(13)14(18)16-9-7-15(2)8-10-16/h3-6H,7-10H2,1-2H3.
What are the key properties of [2-(4-methylpiperazine-1-carbonyl)phenyl] acetate?
[2-(4-methylpiperazine-1-carbonyl)phenyl] acetate has a molecular weight of 262.31 g/mol, XLogP of 1.00, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylpiperazine-1-carbonyl)phenyl] acetate is sourced from PubChem (CID 3364614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).