N-[4-(4-methyl-3-oxopiperazin-1-yl)phenyl]formamide

C12H15N3O2 — CID 130280941

IUPACN-[4-(4-methyl-3-oxopiperazin-1-yl)phenyl]formamide
SMILESCN1CCN(c2ccc(NC=O)cc2)CC1=O
InChIInChI=1S/C12H15N3O2/c1-14-6-7-15(8-12(14)17)11-4-2-10(3-5-11)13-9-16/h2-5,9H,6-8H2,1H3,(H,13,16)
InChIKeyXIQNJPZDSNQBKO-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.53
Rot. Bonds3

About N-[4-(4-methyl-3-oxopiperazin-1-yl)phenyl]formamide

N-[4-(4-methyl-3-oxopiperazin-1-yl)phenyl]formamide (PubChem CID 130280941) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is N-[4-(4-methyl-3-oxopiperazin-1-yl)phenyl]formamide.

Molecular Properties

Compound NameN-[4-(4-methyl-3-oxopiperazin-1-yl)phenyl]formamide
PubChem CID130280941
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC NameN-[4-(4-methyl-3-oxopiperazin-1-yl)phenyl]formamide
SMILESCN1CCN(c2ccc(NC=O)cc2)CC1=O
InChIInChI=1S/C12H15N3O2/c1-14-6-7-15(8-12(14)17)11-4-2-10(3-5-11)13-9-16/h2-5,9H,6-8H2,1H3,(H,13,16)
InChIKeyXIQNJPZDSNQBKO-UHFFFAOYSA-N
XLogP0.53
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methyl-3-oxopiperazin-1-yl)phenyl]formamide?
The IUPAC name of N-[4-(4-methyl-3-oxopiperazin-1-yl)phenyl]formamide (CID 130280941) is N-[4-(4-methyl-3-oxopiperazin-1-yl)phenyl]formamide.
What is the SMILES notation for N-[4-(4-methyl-3-oxopiperazin-1-yl)phenyl]formamide?
The canonical SMILES for N-[4-(4-methyl-3-oxopiperazin-1-yl)phenyl]formamide is CN1CCN(c2ccc(NC=O)cc2)CC1=O.
What is the InChIKey of N-[4-(4-methyl-3-oxopiperazin-1-yl)phenyl]formamide?
The InChIKey is XIQNJPZDSNQBKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-14-6-7-15(8-12(14)17)11-4-2-10(3-5-11)13-9-16/h2-5,9H,6-8H2,1H3,(H,13,16).
What are the key properties of N-[4-(4-methyl-3-oxopiperazin-1-yl)phenyl]formamide?
N-[4-(4-methyl-3-oxopiperazin-1-yl)phenyl]formamide has a molecular weight of 233.27 g/mol, XLogP of 0.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methyl-3-oxopiperazin-1-yl)phenyl]formamide is sourced from PubChem (CID 130280941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).