3-[4-[(1-aminopiperidin-4-yl)methyl]piperazin-1-yl]-N-(2,6-dioxopiperidin-3-yl)benzamide

C22H32N6O3 — CID 167463620

IUPAC3-[4-[(1-aminopiperidin-4-yl)methyl]piperazin-1-yl]-N-(2,6-dioxopiperidin-3-yl)benzamide
SMILESNN1CCC(CN2CCN(c3cccc(C(=O)NC4CCC(=O)NC4=O)c3)CC2)CC1
InChIInChI=1S/C22H32N6O3/c23-28-8-6-16(7-9-28)15-26-10-12-27(13-11-26)18-3-1-2-17(14-18)21(30)24-19-4-5-20(29)25-22(19)31/h1-3,14,16,19H,4-13,15,23H2,(H,24,30)(H,25,29,31)
InChIKeyMPJCPTJDJFMBCT-UHFFFAOYSA-N
MW428.54 g/mol
LogP-0.07
Rot. Bonds5

About 3-[4-[(1-aminopiperidin-4-yl)methyl]piperazin-1-yl]-N-(2,6-dioxopiperidin-3-yl)benzamide

3-[4-[(1-aminopiperidin-4-yl)methyl]piperazin-1-yl]-N-(2,6-dioxopiperidin-3-yl)benzamide (PubChem CID 167463620) has the molecular formula C22H32N6O3 and a molecular weight of 428.54 g/mol. Its IUPAC name is 3-[4-[(1-aminopiperidin-4-yl)methyl]piperazin-1-yl]-N-(2,6-dioxopiperidin-3-yl)benzamide.

Molecular Properties

Compound Name3-[4-[(1-aminopiperidin-4-yl)methyl]piperazin-1-yl]-N-(2,6-dioxopiperidin-3-yl)benzamide
PubChem CID167463620
Molecular FormulaC22H32N6O3
Molecular Weight428.54 g/mol
Exact Mass428.25
IUPAC Name3-[4-[(1-aminopiperidin-4-yl)methyl]piperazin-1-yl]-N-(2,6-dioxopiperidin-3-yl)benzamide
SMILESNN1CCC(CN2CCN(c3cccc(C(=O)NC4CCC(=O)NC4=O)c3)CC2)CC1
InChIInChI=1S/C22H32N6O3/c23-28-8-6-16(7-9-28)15-26-10-12-27(13-11-26)18-3-1-2-17(14-18)21(30)24-19-4-5-20(29)25-22(19)31/h1-3,14,16,19H,4-13,15,23H2,(H,24,30)(H,25,29,31)
InChIKeyMPJCPTJDJFMBCT-UHFFFAOYSA-N
XLogP-0.07
TPSA111.01 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 5-0.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(2,6-dioxopiperidin-3-yl)-3-phenylbenzamide
CID 138467355
tert-butyl 4-[[4-[4-[(2,6-dioxopiperidin-3-yl)carbamoyl]-3-formylphenyl]piperazin-1-yl]methyl]piperidine-1-carboxylate
CID 178155544
N-(2,6-dioxopiperidin-3-yl)-5-[4-[[1-(2-fluorophenyl)piperidin-4-yl]methyl]piperazin-1-yl]pyridine-2-carboxamide
CID 170728597
methyl 3-[(2,6-dioxopiperidin-3-yl)carbamoyl]benzoate
CID 146129215
3-[4-[[4-[4-[4-[[5-chloro-4-(2-dimethylphosphanylanilino)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]piperidin-1-yl]methyl]piperidin-1-yl]-N-(2,6-dioxopiperidin-3-yl)benzamide
CID 171094113
5-[4-[[1-(4-carbamoylphenyl)piperidin-4-yl]methyl]piperazin-1-yl]-N-(2,6-dioxopiperidin-3-yl)-2-iminopyridine-1-carboxamide
CID 142327477
N-(2,6-dioxopiperidin-3-yl)-2-formyl-5-[4-(hydroxymethyl)piperidin-1-yl]benzamide
CID 178155469
benzene;3,4-dihydro-2H-chromen-7-ol;N-(2,6-dioxopiperidin-3-yl)-5-[4-[(4-phenylpiperazin-1-yl)methyl]piperidin-1-yl]pyridine-2-carboxamide
CID 170728556
N-(2,6-dioxopiperidin-3-yl)benzamide;ethane
CID 156866709
3-[[5-[4-(piperidin-4-ylmethyl)piperazin-1-yl]-2-pyridinyl]amino]piperidine-2,6-dione
CID 177300792
N-(2,6-dioxopiperidin-3-yl)-2-fluoro-4-[4-(hydroxymethyl)piperidin-1-yl]benzamide
CID 171626777
N-[7-[[1-[4-(2,6-dioxopiperidin-3-yl)-3-methoxyphenyl]piperidin-4-yl]methyl]-7-azaspiro[3.5]nonan-2-yl]-3-methoxybenzamide
CID 175912018

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(1-aminopiperidin-4-yl)methyl]piperazin-1-yl]-N-(2,6-dioxopiperidin-3-yl)benzamide?
The IUPAC name of 3-[4-[(1-aminopiperidin-4-yl)methyl]piperazin-1-yl]-N-(2,6-dioxopiperidin-3-yl)benzamide (CID 167463620) is 3-[4-[(1-aminopiperidin-4-yl)methyl]piperazin-1-yl]-N-(2,6-dioxopiperidin-3-yl)benzamide.
What is the SMILES notation for 3-[4-[(1-aminopiperidin-4-yl)methyl]piperazin-1-yl]-N-(2,6-dioxopiperidin-3-yl)benzamide?
The canonical SMILES for 3-[4-[(1-aminopiperidin-4-yl)methyl]piperazin-1-yl]-N-(2,6-dioxopiperidin-3-yl)benzamide is NN1CCC(CN2CCN(c3cccc(C(=O)NC4CCC(=O)NC4=O)c3)CC2)CC1.
What is the InChIKey of 3-[4-[(1-aminopiperidin-4-yl)methyl]piperazin-1-yl]-N-(2,6-dioxopiperidin-3-yl)benzamide?
The InChIKey is MPJCPTJDJFMBCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N6O3/c23-28-8-6-16(7-9-28)15-26-10-12-27(13-11-26)18-3-1-2-17(14-18)21(30)24-19-4-5-20(29)25-22(19)31/h1-3,14,16,19H,4-13,15,23H2,(H,24,30)(H,25,29,31).
What are the key properties of 3-[4-[(1-aminopiperidin-4-yl)methyl]piperazin-1-yl]-N-(2,6-dioxopiperidin-3-yl)benzamide?
3-[4-[(1-aminopiperidin-4-yl)methyl]piperazin-1-yl]-N-(2,6-dioxopiperidin-3-yl)benzamide has a molecular weight of 428.54 g/mol, XLogP of -0.07, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(1-aminopiperidin-4-yl)methyl]piperazin-1-yl]-N-(2,6-dioxopiperidin-3-yl)benzamide is sourced from PubChem (CID 167463620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).