1-(4-aminoanilino)-3-(4-methylpiperazin-1-yl)propan-2-one

C14H22N4O — CID 91387404

IUPAC1-(4-aminoanilino)-3-(4-methylpiperazin-1-yl)propan-2-one
SMILESCN1CCN(CC(=O)CNc2ccc(N)cc2)CC1
InChIInChI=1S/C14H22N4O/c1-17-6-8-18(9-7-17)11-14(19)10-16-13-4-2-12(15)3-5-13/h2-5,16H,6-11,15H2,1H3
InChIKeyOKLOJCNSSGIPTO-UHFFFAOYSA-N
MW262.36 g/mol
LogP0.50
Rot. Bonds5

About 1-(4-aminoanilino)-3-(4-methylpiperazin-1-yl)propan-2-one

1-(4-aminoanilino)-3-(4-methylpiperazin-1-yl)propan-2-one (PubChem CID 91387404) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 1-(4-aminoanilino)-3-(4-methylpiperazin-1-yl)propan-2-one.

Molecular Properties

Compound Name1-(4-aminoanilino)-3-(4-methylpiperazin-1-yl)propan-2-one
PubChem CID91387404
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name1-(4-aminoanilino)-3-(4-methylpiperazin-1-yl)propan-2-one
SMILESCN1CCN(CC(=O)CNc2ccc(N)cc2)CC1
InChIInChI=1S/C14H22N4O/c1-17-6-8-18(9-7-17)11-14(19)10-16-13-4-2-12(15)3-5-13/h2-5,16H,6-11,15H2,1H3
InChIKeyOKLOJCNSSGIPTO-UHFFFAOYSA-N
XLogP0.50
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-Phenylpiperazine
CID 7096
4-(N-Propionylaniline)piperidine
CID 259381
4-(4-Ethylpiperazin-1-yl)aniline
CID 936738
4-(4-Methylpiperazin-1-yl)aniline
CID 737253
N-(4-Piperidinyl)phenylacetamide
CID 74156
N-(3-fluorophenyl)-3-(4-methylpiperazin-1-yl)propanamide
CID 649412
3-(4-Phenylpiperazin-1-yl)propan-1-amine
CID 261297
1-[4-(4-Aminophenyl)piperazin-1-yl]ethan-1-one
CID 736269
Acetamide, 2-anilino-N,N-dimethyl-
CID 203398
N-Phenyl-1-piperidineacetamide
CID 78402
N-(4-(Diethylamino)phenyl)acetamide
CID 21400
N-(4-fluorophenyl)-2-(piperazin-1-yl)acetamide
CID 1832909

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminoanilino)-3-(4-methylpiperazin-1-yl)propan-2-one?
The IUPAC name of 1-(4-aminoanilino)-3-(4-methylpiperazin-1-yl)propan-2-one (CID 91387404) is 1-(4-aminoanilino)-3-(4-methylpiperazin-1-yl)propan-2-one.
What is the SMILES notation for 1-(4-aminoanilino)-3-(4-methylpiperazin-1-yl)propan-2-one?
The canonical SMILES for 1-(4-aminoanilino)-3-(4-methylpiperazin-1-yl)propan-2-one is CN1CCN(CC(=O)CNc2ccc(N)cc2)CC1.
What is the InChIKey of 1-(4-aminoanilino)-3-(4-methylpiperazin-1-yl)propan-2-one?
The InChIKey is OKLOJCNSSGIPTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-17-6-8-18(9-7-17)11-14(19)10-16-13-4-2-12(15)3-5-13/h2-5,16H,6-11,15H2,1H3.
What are the key properties of 1-(4-aminoanilino)-3-(4-methylpiperazin-1-yl)propan-2-one?
1-(4-aminoanilino)-3-(4-methylpiperazin-1-yl)propan-2-one has a molecular weight of 262.36 g/mol, XLogP of 0.50, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminoanilino)-3-(4-methylpiperazin-1-yl)propan-2-one is sourced from PubChem (CID 91387404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).