2-(4-methoxy-N-methylanilino)-1-piperazin-1-ylethanone

C14H21N3O2 — CID 55211427

IUPAC2-(4-methoxy-N-methylanilino)-1-piperazin-1-ylethanone
SMILESCOc1ccc(N(C)CC(=O)N2CCNCC2)cc1
InChIInChI=1S/C14H21N3O2/c1-16(12-3-5-13(19-2)6-4-12)11-14(18)17-9-7-15-8-10-17/h3-6,15H,7-11H2,1-2H3
InChIKeyUOWZZUZHWNABGJ-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.56
Rot. Bonds4

About 2-(4-methoxy-N-methylanilino)-1-piperazin-1-ylethanone

2-(4-methoxy-N-methylanilino)-1-piperazin-1-ylethanone (PubChem CID 55211427) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-(4-methoxy-N-methylanilino)-1-piperazin-1-ylethanone.

Molecular Properties

Compound Name2-(4-methoxy-N-methylanilino)-1-piperazin-1-ylethanone
PubChem CID55211427
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name2-(4-methoxy-N-methylanilino)-1-piperazin-1-ylethanone
SMILESCOc1ccc(N(C)CC(=O)N2CCNCC2)cc1
InChIInChI=1S/C14H21N3O2/c1-16(12-3-5-13(19-2)6-4-12)11-14(18)17-9-7-15-8-10-17/h3-6,15H,7-11H2,1-2H3
InChIKeyUOWZZUZHWNABGJ-UHFFFAOYSA-N
XLogP0.56
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-(4-hydroxy-N-methylanilino)-1-piperazin-1-ylethanone
CID 39256203
2-[(4-methoxyphenyl)methyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride
CID 119929401
4-(4-methoxyphenoxy)-1-piperazin-1-ylbutan-1-one
CID 39284680
4-[4-[2-(4-methoxy-N-methylanilino)acetyl]piperazin-1-yl]benzenesulfinic acid
CID 71250597
N-(4-methoxyphenyl)-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide;hydrochloride
CID 119915137
2-[(4-methoxypyrimidin-2-yl)-methylamino]-1-piperazin-1-ylethanone
CID 54904291
2-[(2-ethyl-4-methoxyphenyl)methyl-methylamino]-1-piperazin-1-ylethanone
CID 120836001
3,3-bis(4-methoxyphenyl)-1-piperazin-1-ylpropan-1-one
CID 164754110
1-(4-methoxyphenyl)-4-piperazin-1-ylbutane-1,4-dione;hydrochloride
CID 119401755
2-bromo-5-methoxy-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 119454534
2-bromo-5-methoxy-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119454533
2-(N,3-dimethyl-4-nitroanilino)-1-piperazin-1-ylethanone
CID 61018161

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-N-methylanilino)-1-piperazin-1-ylethanone?
The IUPAC name of 2-(4-methoxy-N-methylanilino)-1-piperazin-1-ylethanone (CID 55211427) is 2-(4-methoxy-N-methylanilino)-1-piperazin-1-ylethanone.
What is the SMILES notation for 2-(4-methoxy-N-methylanilino)-1-piperazin-1-ylethanone?
The canonical SMILES for 2-(4-methoxy-N-methylanilino)-1-piperazin-1-ylethanone is COc1ccc(N(C)CC(=O)N2CCNCC2)cc1.
What is the InChIKey of 2-(4-methoxy-N-methylanilino)-1-piperazin-1-ylethanone?
The InChIKey is UOWZZUZHWNABGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-16(12-3-5-13(19-2)6-4-12)11-14(18)17-9-7-15-8-10-17/h3-6,15H,7-11H2,1-2H3.
What are the key properties of 2-(4-methoxy-N-methylanilino)-1-piperazin-1-ylethanone?
2-(4-methoxy-N-methylanilino)-1-piperazin-1-ylethanone has a molecular weight of 263.34 g/mol, XLogP of 0.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-N-methylanilino)-1-piperazin-1-ylethanone is sourced from PubChem (CID 55211427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).