1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(methylamino)ethanone

C14H21N3O2 — CID 24702790

IUPAC1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(methylamino)ethanone
SMILESCNCC(=O)N1CCN(c2ccc(OC)cc2)CC1
InChIInChI=1S/C14H21N3O2/c1-15-11-14(18)17-9-7-16(8-10-17)12-3-5-13(19-2)6-4-12/h3-6,15H,7-11H2,1-2H3
InChIKeyPMVKEUNNTJSMDA-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.56
Rot. Bonds4

About 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(methylamino)ethanone

1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(methylamino)ethanone (PubChem CID 24702790) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(methylamino)ethanone.

Molecular Properties

Compound Name1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(methylamino)ethanone
PubChem CID24702790
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(methylamino)ethanone
SMILESCNCC(=O)N1CCN(c2ccc(OC)cc2)CC1
InChIInChI=1S/C14H21N3O2/c1-15-11-14(18)17-9-7-16(8-10-17)12-3-5-13(19-2)6-4-12/h3-6,15H,7-11H2,1-2H3
InChIKeyPMVKEUNNTJSMDA-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

1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(propylamino)ethanone
CID 60648289
2-methoxy-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 60637810
2-chloro-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone;hydrochloride
CID 43810420
N-butan-2-yl-3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropanamide
CID 108941820
tert-butyl 2-[[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]amino]-2-oxoacetate
CID 113097949
dimethyl 5-[[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]amino]benzene-1,3-dicarboxylate
CID 55437017
N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-2-(4-methylphenyl)acetamide
CID 112996020
1-[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]propan-1-one
CID 58748767
1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[4-(trifluoromethyl)anilino]ethanone
CID 51183110
3-methoxy-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 9158911
N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-2-oxohexanamide
CID 113097929
2-tert-butylsulfanyl-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 78775432

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(methylamino)ethanone?
The IUPAC name of 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(methylamino)ethanone (CID 24702790) is 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(methylamino)ethanone.
What is the SMILES notation for 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(methylamino)ethanone?
The canonical SMILES for 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(methylamino)ethanone is CNCC(=O)N1CCN(c2ccc(OC)cc2)CC1.
What is the InChIKey of 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(methylamino)ethanone?
The InChIKey is PMVKEUNNTJSMDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-15-11-14(18)17-9-7-16(8-10-17)12-3-5-13(19-2)6-4-12/h3-6,15H,7-11H2,1-2H3.
What are the key properties of 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(methylamino)ethanone?
1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(methylamino)ethanone 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 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(methylamino)ethanone is sourced from PubChem (CID 24702790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).