4-(4-methylpiperazin-1-yl)oxybenzamide

C12H17N3O2 — CID 141124699

IUPAC4-(4-methylpiperazin-1-yl)oxybenzamide
SMILESCN1CCN(Oc2ccc(C(N)=O)cc2)CC1
InChIInChI=1S/C12H17N3O2/c1-14-6-8-15(9-7-14)17-11-4-2-10(3-5-11)12(13)16/h2-5H,6-9H2,1H3,(H2,13,16)
InChIKeyQVCCMACGOAKBBB-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.33
Rot. Bonds3

About 4-(4-methylpiperazin-1-yl)oxybenzamide

4-(4-methylpiperazin-1-yl)oxybenzamide (PubChem CID 141124699) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 4-(4-methylpiperazin-1-yl)oxybenzamide.

Molecular Properties

Compound Name4-(4-methylpiperazin-1-yl)oxybenzamide
PubChem CID141124699
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name4-(4-methylpiperazin-1-yl)oxybenzamide
SMILESCN1CCN(Oc2ccc(C(N)=O)cc2)CC1
InChIInChI=1S/C12H17N3O2/c1-14-6-8-15(9-7-14)17-11-4-2-10(3-5-11)12(13)16/h2-5H,6-9H2,1H3,(H2,13,16)
InChIKeyQVCCMACGOAKBBB-UHFFFAOYSA-N
XLogP0.33
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperazin-1-yl)oxybenzamide?
The IUPAC name of 4-(4-methylpiperazin-1-yl)oxybenzamide (CID 141124699) is 4-(4-methylpiperazin-1-yl)oxybenzamide.
What is the SMILES notation for 4-(4-methylpiperazin-1-yl)oxybenzamide?
The canonical SMILES for 4-(4-methylpiperazin-1-yl)oxybenzamide is CN1CCN(Oc2ccc(C(N)=O)cc2)CC1.
What is the InChIKey of 4-(4-methylpiperazin-1-yl)oxybenzamide?
The InChIKey is QVCCMACGOAKBBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-14-6-8-15(9-7-14)17-11-4-2-10(3-5-11)12(13)16/h2-5H,6-9H2,1H3,(H2,13,16).
What are the key properties of 4-(4-methylpiperazin-1-yl)oxybenzamide?
4-(4-methylpiperazin-1-yl)oxybenzamide has a molecular weight of 235.29 g/mol, XLogP of 0.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperazin-1-yl)oxybenzamide is sourced from PubChem (CID 141124699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).