[3-(4-methylpiperazine-1-carbonyl)phenyl] acetate

C14H18N2O3 — CID 17308715

IUPAC[3-(4-methylpiperazine-1-carbonyl)phenyl] acetate
SMILESCC(=O)Oc1cccc(C(=O)N2CCN(C)CC2)c1
InChIInChI=1S/C14H18N2O3/c1-11(17)19-13-5-3-4-12(10-13)14(18)16-8-6-15(2)7-9-16/h3-5,10H,6-9H2,1-2H3
InChIKeyLXOVBWSIALSWQH-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.00
Rot. Bonds2

About [3-(4-methylpiperazine-1-carbonyl)phenyl] acetate

[3-(4-methylpiperazine-1-carbonyl)phenyl] acetate (PubChem CID 17308715) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is [3-(4-methylpiperazine-1-carbonyl)phenyl] acetate.

Molecular Properties

Compound Name[3-(4-methylpiperazine-1-carbonyl)phenyl] acetate
PubChem CID17308715
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name[3-(4-methylpiperazine-1-carbonyl)phenyl] acetate
SMILESCC(=O)Oc1cccc(C(=O)N2CCN(C)CC2)c1
InChIInChI=1S/C14H18N2O3/c1-11(17)19-13-5-3-4-12(10-13)14(18)16-8-6-15(2)7-9-16/h3-5,10H,6-9H2,1-2H3
InChIKeyLXOVBWSIALSWQH-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

[3-[4-(3,5-dimethoxybenzoyl)piperazine-1-carbonyl]phenyl] acetate
CID 108533189
[3-[4-(3-methylbenzoyl)-1,4-diazepane-1-carbonyl]phenyl] acetate
CID 108543535
tert-butyl 4-(3-acetyloxybenzoyl)piperazine-1-carboxylate
CID 67312875
[3-[4-(3,4,5-trihydroxybenzoyl)-1,4-diazepane-1-carbonyl]phenyl] acetate
CID 108543502
[3-[4-(2-iodobenzoyl)piperazine-1-carbonyl]phenyl] acetate
CID 108926732
[3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl] acetate
CID 57224433
[3-[4-(4-phenylbenzoyl)-1,4-diazepane-1-carbonyl]phenyl] acetate
CID 108543481
[3-[4-[(E)-4,4-dimethylpent-2-enoyl]piperazine-1-carbonyl]phenyl] acetate
CID 108926802
[3-[4-(2-phenylacetyl)-1,4-diazepane-1-carbonyl]phenyl] acetate
CID 108543500
[3-[4-(2-fluorobenzoyl)-1,4-diazepane-1-carbonyl]phenyl] acetate
CID 108543479
[3-[4-[4-(methanesulfonamido)benzoyl]piperazine-1-carbonyl]phenyl] acetate
CID 108533205
[3-[4-(2-bromobenzoyl)-1,4-diazepane-1-carbonyl]phenyl] acetate
CID 108543489

Frequently Asked Questions

What is the IUPAC name of [3-(4-methylpiperazine-1-carbonyl)phenyl] acetate?
The IUPAC name of [3-(4-methylpiperazine-1-carbonyl)phenyl] acetate (CID 17308715) is [3-(4-methylpiperazine-1-carbonyl)phenyl] acetate.
What is the SMILES notation for [3-(4-methylpiperazine-1-carbonyl)phenyl] acetate?
The canonical SMILES for [3-(4-methylpiperazine-1-carbonyl)phenyl] acetate is CC(=O)Oc1cccc(C(=O)N2CCN(C)CC2)c1.
What is the InChIKey of [3-(4-methylpiperazine-1-carbonyl)phenyl] acetate?
The InChIKey is LXOVBWSIALSWQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-11(17)19-13-5-3-4-12(10-13)14(18)16-8-6-15(2)7-9-16/h3-5,10H,6-9H2,1-2H3.
What are the key properties of [3-(4-methylpiperazine-1-carbonyl)phenyl] acetate?
[3-(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 [3-(4-methylpiperazine-1-carbonyl)phenyl] acetate is sourced from PubChem (CID 17308715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).