1-(4-methylpiperazin-1-yl)-2-(4-propan-2-yloxyanilino)ethanone

C16H25N3O2 — CID 28969825

IUPAC1-(4-methylpiperazin-1-yl)-2-(4-propan-2-yloxyanilino)ethanone
SMILESCC(C)Oc1ccc(NCC(=O)N2CCN(C)CC2)cc1
InChIInChI=1S/C16H25N3O2/c1-13(2)21-15-6-4-14(5-7-15)17-12-16(20)19-10-8-18(3)9-11-19/h4-7,13,17H,8-12H2,1-3H3
InChIKeyPUHLROIEWAYSCQ-UHFFFAOYSA-N
MW291.40 g/mol
LogP1.66
Rot. Bonds5

About 1-(4-methylpiperazin-1-yl)-2-(4-propan-2-yloxyanilino)ethanone

1-(4-methylpiperazin-1-yl)-2-(4-propan-2-yloxyanilino)ethanone (PubChem CID 28969825) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is 1-(4-methylpiperazin-1-yl)-2-(4-propan-2-yloxyanilino)ethanone.

Molecular Properties

Compound Name1-(4-methylpiperazin-1-yl)-2-(4-propan-2-yloxyanilino)ethanone
PubChem CID28969825
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Name1-(4-methylpiperazin-1-yl)-2-(4-propan-2-yloxyanilino)ethanone
SMILESCC(C)Oc1ccc(NCC(=O)N2CCN(C)CC2)cc1
InChIInChI=1S/C16H25N3O2/c1-13(2)21-15-6-4-14(5-7-15)17-12-16(20)19-10-8-18(3)9-11-19/h4-7,13,17H,8-12H2,1-3H3
InChIKeyPUHLROIEWAYSCQ-UHFFFAOYSA-N
XLogP1.66
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(4-methylpiperazin-1-yl)-2-(4-propan-2-yloxyanilino)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(difluoromethoxy)anilino]-1-(4-methylpiperazin-1-yl)ethanone
CID 43217887
methyl 4-[[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]benzoate
CID 108995454
4-[2-(4-methoxyanilino)acetyl]piperazine-1-carbaldehyde
CID 108995990
2-(4-propan-2-yloxyanilino)acetic acid
CID 28969819
1-(4-methylpiperazin-1-yl)-3-(4-propan-2-yloxyphenyl)sulfonylpropan-1-one
CID 110298406
2-[4-(difluoromethoxy)anilino]-1-piperidin-1-ylethanone
CID 43217862
2-[4-(difluoromethoxy)anilino]-1-(4-methylsulfonylpiperazin-1-yl)ethanone
CID 47015468
4-(4-methylpiperazine-1-carbonyl)-N-(4-propan-2-yloxyphenyl)cyclohexane-1-carboxamide
CID 109147452
2-(4-fluoro-3-methylanilino)-1-(4-methylpiperazin-1-yl)ethanone
CID 55117982
2-(3-chloro-4-methoxyanilino)-1-(4-methylpiperazin-1-yl)ethanone
CID 28570686
2-(4-chloro-3-methoxyanilino)-1-(4-methylpiperazin-1-yl)ethanone
CID 107621589
(4-methylpiperazin-1-yl)-[5-(4-propan-2-yloxyanilino)-2-pyridinyl]methanone
CID 109186368

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperazin-1-yl)-2-(4-propan-2-yloxyanilino)ethanone?
The IUPAC name of 1-(4-methylpiperazin-1-yl)-2-(4-propan-2-yloxyanilino)ethanone (CID 28969825) is 1-(4-methylpiperazin-1-yl)-2-(4-propan-2-yloxyanilino)ethanone.
What is the SMILES notation for 1-(4-methylpiperazin-1-yl)-2-(4-propan-2-yloxyanilino)ethanone?
The canonical SMILES for 1-(4-methylpiperazin-1-yl)-2-(4-propan-2-yloxyanilino)ethanone is CC(C)Oc1ccc(NCC(=O)N2CCN(C)CC2)cc1.
What is the InChIKey of 1-(4-methylpiperazin-1-yl)-2-(4-propan-2-yloxyanilino)ethanone?
The InChIKey is PUHLROIEWAYSCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-13(2)21-15-6-4-14(5-7-15)17-12-16(20)19-10-8-18(3)9-11-19/h4-7,13,17H,8-12H2,1-3H3.
What are the key properties of 1-(4-methylpiperazin-1-yl)-2-(4-propan-2-yloxyanilino)ethanone?
1-(4-methylpiperazin-1-yl)-2-(4-propan-2-yloxyanilino)ethanone has a molecular weight of 291.40 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperazin-1-yl)-2-(4-propan-2-yloxyanilino)ethanone is sourced from PubChem (CID 28969825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).