3-[4-[2-[4-(4-aminocyclohexyl)piperazin-1-yl]ethyl]phenyl]piperidine-2,6-dione

C23H34N4O2 — CID 171652178

IUPAC3-[4-[2-[4-(4-aminocyclohexyl)piperazin-1-yl]ethyl]phenyl]piperidine-2,6-dione
SMILESNC1CCC(N2CCN(CCc3ccc(C4CCC(=O)NC4=O)cc3)CC2)CC1
InChIInChI=1S/C23H34N4O2/c24-19-5-7-20(8-6-19)27-15-13-26(14-16-27)12-11-17-1-3-18(4-2-17)21-9-10-22(28)25-23(21)29/h1-4,19-21H,5-16,24H2,(H,25,28,29)
InChIKeyYHQCCCCNBPHSBP-UHFFFAOYSA-N
MW398.55 g/mol
LogP1.64
Rot. Bonds5

About 3-[4-[2-[4-(4-aminocyclohexyl)piperazin-1-yl]ethyl]phenyl]piperidine-2,6-dione

3-[4-[2-[4-(4-aminocyclohexyl)piperazin-1-yl]ethyl]phenyl]piperidine-2,6-dione (PubChem CID 171652178) has the molecular formula C23H34N4O2 and a molecular weight of 398.55 g/mol. Its IUPAC name is 3-[4-[2-[4-(4-aminocyclohexyl)piperazin-1-yl]ethyl]phenyl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[4-[2-[4-(4-aminocyclohexyl)piperazin-1-yl]ethyl]phenyl]piperidine-2,6-dione
PubChem CID171652178
Molecular FormulaC23H34N4O2
Molecular Weight398.55 g/mol
Exact Mass398.27
IUPAC Name3-[4-[2-[4-(4-aminocyclohexyl)piperazin-1-yl]ethyl]phenyl]piperidine-2,6-dione
SMILESNC1CCC(N2CCN(CCc3ccc(C4CCC(=O)NC4=O)cc3)CC2)CC1
InChIInChI=1S/C23H34N4O2/c24-19-5-7-20(8-6-19)27-15-13-26(14-16-27)12-11-17-1-3-18(4-2-17)21-9-10-22(28)25-23(21)29/h1-4,19-21H,5-16,24H2,(H,25,28,29)
InChIKeyYHQCCCCNBPHSBP-UHFFFAOYSA-N
XLogP1.64
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.55
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 3-[4-[2-[4-(4-aminocyclohexyl)piperazin-1-yl]ethyl]phenyl]piperidine-2,6-dione 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

3-[4-[4-[4-(hydroxymethyl)cyclohexyl]piperazin-1-yl]phenyl]piperidine-2,6-dione
CID 170325363
3-[4-(2,6-dioxopiperidin-3-yl)phenyl]propanal
CID 171098619
3-[4-[2-(4-oxocyclohexyl)ethyl]phenyl]piperidine-2,6-dione
CID 170325130
4-[2-(4-cyclopropylpiperazin-1-yl)ethyl]aniline
CID 61440083
3-[4-[2-[1-(cyclohexylmethyl)piperidin-4-yl]ethyl]phenyl]piperidine-2,6-dione
CID 171406546
3-[6-[[4-(4-aminocyclohexyl)piperazin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167715037
3-[4-[4-[(4-aminocyclohexyl)methyl]piperazin-1-yl]-3-fluorophenyl]piperidine-2,6-dione
CID 171598542
tert-butyl N-[4-[2-[4-[[4-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperazin-1-yl]methyl]piperidin-1-yl]ethyl]phenyl]carbamate
CID 177198205
3-(4-aminophenyl)piperidine-2,6-dione;ethane
CID 177052461
3-[4-[2-(4-aminopiperidin-1-yl)-7-azaspiro[3.5]nonan-7-yl]-3-fluorophenyl]piperidine-2,6-dione
CID 167463156
3-[4-[4-[2-[4-[1-(4-amino-5-methoxy-2-methylphenyl)piperidin-4-yl]piperazin-1-yl]ethyl]piperidin-1-yl]phenyl]piperidine-2,6-dione
CID 167027144
7-cyclopentyl-2-[4-[2-[4-[1-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperidin-4-yl]piperazin-1-yl]ethyl]anilino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 170586152

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-[4-(4-aminocyclohexyl)piperazin-1-yl]ethyl]phenyl]piperidine-2,6-dione?
The IUPAC name of 3-[4-[2-[4-(4-aminocyclohexyl)piperazin-1-yl]ethyl]phenyl]piperidine-2,6-dione (CID 171652178) is 3-[4-[2-[4-(4-aminocyclohexyl)piperazin-1-yl]ethyl]phenyl]piperidine-2,6-dione.
What is the SMILES notation for 3-[4-[2-[4-(4-aminocyclohexyl)piperazin-1-yl]ethyl]phenyl]piperidine-2,6-dione?
The canonical SMILES for 3-[4-[2-[4-(4-aminocyclohexyl)piperazin-1-yl]ethyl]phenyl]piperidine-2,6-dione is NC1CCC(N2CCN(CCc3ccc(C4CCC(=O)NC4=O)cc3)CC2)CC1.
What is the InChIKey of 3-[4-[2-[4-(4-aminocyclohexyl)piperazin-1-yl]ethyl]phenyl]piperidine-2,6-dione?
The InChIKey is YHQCCCCNBPHSBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O2/c24-19-5-7-20(8-6-19)27-15-13-26(14-16-27)12-11-17-1-3-18(4-2-17)21-9-10-22(28)25-23(21)29/h1-4,19-21H,5-16,24H2,(H,25,28,29).
What are the key properties of 3-[4-[2-[4-(4-aminocyclohexyl)piperazin-1-yl]ethyl]phenyl]piperidine-2,6-dione?
3-[4-[2-[4-(4-aminocyclohexyl)piperazin-1-yl]ethyl]phenyl]piperidine-2,6-dione has a molecular weight of 398.55 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-[4-(4-aminocyclohexyl)piperazin-1-yl]ethyl]phenyl]piperidine-2,6-dione is sourced from PubChem (CID 171652178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).