[4-(4-aminophenyl)piperazin-1-yl]-piperidin-4-ylmethanone

C16H24N4O — CID 70311502

IUPAC[4-(4-aminophenyl)piperazin-1-yl]-piperidin-4-ylmethanone
SMILESNc1ccc(N2CCN(C(=O)C3CCNCC3)CC2)cc1
InChIInChI=1S/C16H24N4O/c17-14-1-3-15(4-2-14)19-9-11-20(12-10-19)16(21)13-5-7-18-8-6-13/h1-4,13,18H,5-12,17H2
InChIKeyVMDCMAATICUPLP-UHFFFAOYSA-N
MW288.39 g/mol
LogP0.92
Rot. Bonds2

About [4-(4-aminophenyl)piperazin-1-yl]-piperidin-4-ylmethanone

[4-(4-aminophenyl)piperazin-1-yl]-piperidin-4-ylmethanone (PubChem CID 70311502) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is [4-(4-aminophenyl)piperazin-1-yl]-piperidin-4-ylmethanone.

Molecular Properties

Compound Name[4-(4-aminophenyl)piperazin-1-yl]-piperidin-4-ylmethanone
PubChem CID70311502
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name[4-(4-aminophenyl)piperazin-1-yl]-piperidin-4-ylmethanone
SMILESNc1ccc(N2CCN(C(=O)C3CCNCC3)CC2)cc1
InChIInChI=1S/C16H24N4O/c17-14-1-3-15(4-2-14)19-9-11-20(12-10-19)16(21)13-5-7-18-8-6-13/h1-4,13,18H,5-12,17H2
InChIKeyVMDCMAATICUPLP-UHFFFAOYSA-N
XLogP0.92
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze [4-(4-aminophenyl)piperazin-1-yl]-piperidin-4-ylmethanone 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

[4-(4-aminophenyl)piperazin-1-yl]-(oxan-4-yl)methanone
CID 62905278
azepan-4-yl-[4-(3-hydroxyphenyl)piperazin-1-yl]methanone;dihydrochloride
CID 154910466
4-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]benzenesulfonamide;dihydrochloride
CID 119843950
cyclobutyl-[4-(4-piperidin-1-ylphenyl)piperazin-1-yl]methanone
CID 113079016
[4-(2-chlorophenyl)piperazin-1-yl]-piperidin-4-ylmethanone;dihydrochloride
CID 119827691
[4-(4-aminophenyl)piperazin-1-yl]-(2-methylcyclopentyl)methanone
CID 107174788
[4-(2,4-dichlorophenyl)piperazin-1-yl]-piperidin-4-ylmethanone
CID 143238076
(4-phenyl-1,4-diazepan-1-yl)-pyrrolidin-3-ylmethanone;dihydrochloride
CID 119860825
cyclohexyl-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone
CID 78777393
[4-(4-fluorophenyl)piperazin-1-yl]-(1-phenylpiperidin-4-yl)methanone
CID 17152277
piperidin-4-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone;dihydrochloride
CID 119827947
4-(piperidine-4-carbonyl)piperazine-1-carboxylic acid
CID 91186239

Frequently Asked Questions

What is the IUPAC name of [4-(4-aminophenyl)piperazin-1-yl]-piperidin-4-ylmethanone?
The IUPAC name of [4-(4-aminophenyl)piperazin-1-yl]-piperidin-4-ylmethanone (CID 70311502) is [4-(4-aminophenyl)piperazin-1-yl]-piperidin-4-ylmethanone.
What is the SMILES notation for [4-(4-aminophenyl)piperazin-1-yl]-piperidin-4-ylmethanone?
The canonical SMILES for [4-(4-aminophenyl)piperazin-1-yl]-piperidin-4-ylmethanone is Nc1ccc(N2CCN(C(=O)C3CCNCC3)CC2)cc1.
What is the InChIKey of [4-(4-aminophenyl)piperazin-1-yl]-piperidin-4-ylmethanone?
The InChIKey is VMDCMAATICUPLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c17-14-1-3-15(4-2-14)19-9-11-20(12-10-19)16(21)13-5-7-18-8-6-13/h1-4,13,18H,5-12,17H2.
What are the key properties of [4-(4-aminophenyl)piperazin-1-yl]-piperidin-4-ylmethanone?
[4-(4-aminophenyl)piperazin-1-yl]-piperidin-4-ylmethanone has a molecular weight of 288.39 g/mol, XLogP of 0.92, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-aminophenyl)piperazin-1-yl]-piperidin-4-ylmethanone is sourced from PubChem (CID 70311502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).