3-[6-[4-[[4-[4-(6-amino-3-pyridinyl)piperazine-1-carbonyl]piperidin-1-yl]methyl]piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione

C31H42N8O3 — CID 166112693

IUPAC3-[6-[4-[[4-[4-(6-amino-3-pyridinyl)piperazine-1-carbonyl]piperidin-1-yl]methyl]piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione
SMILESNc1ccc(N2CCN(C(=O)C3CCN(CC4CCN(c5ccc(C6CCC(=O)NC6=O)cn5)CC4)CC3)CC2)cn1
InChIInChI=1S/C31H42N8O3/c32-27-4-2-25(20-33-27)37-15-17-39(18-16-37)31(42)23-9-11-36(12-10-23)21-22-7-13-38(14-8-22)28-5-1-24(19-34-28)26-3-6-29(40)35-30(26)41/h1-2,4-5,19-20,22-23,26H,3,6-18,21H2,(H2,32,33)(H,35,40,41)
InChIKeyZPPBOASZALBXNS-UHFFFAOYSA-N
MW574.73 g/mol
LogP1.86
Rot. Bonds6

About 3-[6-[4-[[4-[4-(6-amino-3-pyridinyl)piperazine-1-carbonyl]piperidin-1-yl]methyl]piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione

3-[6-[4-[[4-[4-(6-amino-3-pyridinyl)piperazine-1-carbonyl]piperidin-1-yl]methyl]piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione (PubChem CID 166112693) has the molecular formula C31H42N8O3 and a molecular weight of 574.73 g/mol. Its IUPAC name is 3-[6-[4-[[4-[4-(6-amino-3-pyridinyl)piperazine-1-carbonyl]piperidin-1-yl]methyl]piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[6-[4-[[4-[4-(6-amino-3-pyridinyl)piperazine-1-carbonyl]piperidin-1-yl]methyl]piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione
PubChem CID166112693
Molecular FormulaC31H42N8O3
Molecular Weight574.73 g/mol
Exact Mass574.34
IUPAC Name3-[6-[4-[[4-[4-(6-amino-3-pyridinyl)piperazine-1-carbonyl]piperidin-1-yl]methyl]piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione
SMILESNc1ccc(N2CCN(C(=O)C3CCN(CC4CCN(c5ccc(C6CCC(=O)NC6=O)cn5)CC4)CC3)CC2)cn1
InChIInChI=1S/C31H42N8O3/c32-27-4-2-25(20-33-27)37-15-17-39(18-16-37)31(42)23-9-11-36(12-10-23)21-22-7-13-38(14-8-22)28-5-1-24(19-34-28)26-3-6-29(40)35-30(26)41/h1-2,4-5,19-20,22-23,26H,3,6-18,21H2,(H2,32,33)(H,35,40,41)
InChIKeyZPPBOASZALBXNS-UHFFFAOYSA-N
XLogP1.86
TPSA128.00 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500574.73
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 3-[6-[4-[[4-[4-(6-amino-3-pyridinyl)piperazine-1-carbonyl]piperidin-1-yl]methyl]piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione with MolForge

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Launch Full Analysis

Related Compounds

1-[1-[5-(2,6-dioxopiperidin-3-yl)-2-pyridinyl]piperidine-4-carbonyl]-4-methylpiperidine-4-carboxylic acid
CID 168882533
tert-butyl 4-[[4-[5-[(3R)-2,6-dioxopiperidin-3-yl]-2-pyridinyl]-1,4-diazepan-1-yl]methyl]piperidine-1-carboxylate
CID 171774165
3-[6-[4-(2-hydroxyethyl)piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione
CID 166112962
tert-butyl 4-[5-(2,6-dioxopiperidin-3-yl)-2-pyridinyl]piperazine-1-carboxylate
CID 166113298
3-[6-(azetidin-1-yl)-3-pyridinyl]piperidine-2,6-dione
CID 166113376
3-(6-amino-3-pyridinyl)piperidine-2,6-dione;hydrochloride
CID 166552755
3-(6-piperazin-1-yl-3-pyridinyl)piperidine-2,6-dione
CID 166116993
3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-[6-[4-[4-[[1-[5-(2,6-dioxopiperidin-3-yl)-2-pyridinyl]piperidin-4-yl]methyl]piperazin-1-yl]anilino]pyrimidin-4-yl]-1-methylurea
CID 166112731
7-cyclopentyl-2-[[5-[4-[[1-[5-(2,6-dioxopiperidin-3-yl)-2-pyridinyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide;molecular hydrogen
CID 166112909
3-[6-[4-[[cyclohexyl(methyl)amino]methyl]piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione
CID 167474741
1-[5-(2,6-dioxopiperidin-3-yl)-2-pyridinyl]-4-methylpiperidine-4-carboxylic acid
CID 168882542
tert-butyl 1-[2-[1-[5-[(3R)-2,6-dioxopiperidin-3-yl]-2-pyridinyl]piperidin-4-yl]acetyl]-4-methylpiperidine-4-carboxylate
CID 172570460

Frequently Asked Questions

What is the IUPAC name of 3-[6-[4-[[4-[4-(6-amino-3-pyridinyl)piperazine-1-carbonyl]piperidin-1-yl]methyl]piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione?
The IUPAC name of 3-[6-[4-[[4-[4-(6-amino-3-pyridinyl)piperazine-1-carbonyl]piperidin-1-yl]methyl]piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione (CID 166112693) is 3-[6-[4-[[4-[4-(6-amino-3-pyridinyl)piperazine-1-carbonyl]piperidin-1-yl]methyl]piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione.
What is the SMILES notation for 3-[6-[4-[[4-[4-(6-amino-3-pyridinyl)piperazine-1-carbonyl]piperidin-1-yl]methyl]piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione?
The canonical SMILES for 3-[6-[4-[[4-[4-(6-amino-3-pyridinyl)piperazine-1-carbonyl]piperidin-1-yl]methyl]piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione is Nc1ccc(N2CCN(C(=O)C3CCN(CC4CCN(c5ccc(C6CCC(=O)NC6=O)cn5)CC4)CC3)CC2)cn1.
What is the InChIKey of 3-[6-[4-[[4-[4-(6-amino-3-pyridinyl)piperazine-1-carbonyl]piperidin-1-yl]methyl]piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione?
The InChIKey is ZPPBOASZALBXNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H42N8O3/c32-27-4-2-25(20-33-27)37-15-17-39(18-16-37)31(42)23-9-11-36(12-10-23)21-22-7-13-38(14-8-22)28-5-1-24(19-34-28)26-3-6-29(40)35-30(26)41/h1-2,4-5,19-20,22-23,26H,3,6-18,21H2,(H2,32,33)(H,35,40,41).
What are the key properties of 3-[6-[4-[[4-[4-(6-amino-3-pyridinyl)piperazine-1-carbonyl]piperidin-1-yl]methyl]piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione?
3-[6-[4-[[4-[4-(6-amino-3-pyridinyl)piperazine-1-carbonyl]piperidin-1-yl]methyl]piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione has a molecular weight of 574.73 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[4-[[4-[4-(6-amino-3-pyridinyl)piperazine-1-carbonyl]piperidin-1-yl]methyl]piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione is sourced from PubChem (CID 166112693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).