3-[[5-[4-(piperidin-4-ylmethyl)piperazin-1-yl]-2-pyridinyl]amino]piperidine-2,6-dione

C20H30N6O2 — CID 177300792

IUPAC3-[[5-[4-(piperidin-4-ylmethyl)piperazin-1-yl]-2-pyridinyl]amino]piperidine-2,6-dione
SMILESO=C1CCC(Nc2ccc(N3CCN(CC4CCNCC4)CC3)cn2)C(=O)N1
InChIInChI=1S/C20H30N6O2/c27-19-4-2-17(20(28)24-19)23-18-3-1-16(13-22-18)26-11-9-25(10-12-26)14-15-5-7-21-8-6-15/h1,3,13,15,17,21H,2,4-12,14H2,(H,22,23)(H,24,27,28)
InChIKeyBAMOZIXBYQIFKA-UHFFFAOYSA-N
MW386.50 g/mol
LogP0.42
Rot. Bonds5

About 3-[[5-[4-(piperidin-4-ylmethyl)piperazin-1-yl]-2-pyridinyl]amino]piperidine-2,6-dione

3-[[5-[4-(piperidin-4-ylmethyl)piperazin-1-yl]-2-pyridinyl]amino]piperidine-2,6-dione (PubChem CID 177300792) has the molecular formula C20H30N6O2 and a molecular weight of 386.50 g/mol. Its IUPAC name is 3-[[5-[4-(piperidin-4-ylmethyl)piperazin-1-yl]-2-pyridinyl]amino]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[[5-[4-(piperidin-4-ylmethyl)piperazin-1-yl]-2-pyridinyl]amino]piperidine-2,6-dione
PubChem CID177300792
Molecular FormulaC20H30N6O2
Molecular Weight386.50 g/mol
Exact Mass386.24
IUPAC Name3-[[5-[4-(piperidin-4-ylmethyl)piperazin-1-yl]-2-pyridinyl]amino]piperidine-2,6-dione
SMILESO=C1CCC(Nc2ccc(N3CCN(CC4CCNCC4)CC3)cn2)C(=O)N1
InChIInChI=1S/C20H30N6O2/c27-19-4-2-17(20(28)24-19)23-18-3-1-16(13-22-18)26-11-9-25(10-12-26)14-15-5-7-21-8-6-15/h1,3,13,15,17,21H,2,4-12,14H2,(H,22,23)(H,24,27,28)
InChIKeyBAMOZIXBYQIFKA-UHFFFAOYSA-N
XLogP0.42
TPSA89.60 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 3-[[5-[4-(piperidin-4-ylmethyl)piperazin-1-yl]-2-pyridinyl]amino]piperidine-2,6-dione with MolForge

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Related Compounds

tert-butyl 4-[[4-[6-[(2,6-dioxopiperidin-3-yl)amino]-3-pyridinyl]piperazin-1-yl]methyl]piperidine-1-carboxylate
CID 177300780
5-[(2,6-dioxopiperidin-3-yl)amino]-2-[4-(piperidin-4-ylmethyl)piperazin-1-yl]benzonitrile
CID 177301092
3-[[5-[4-(dimethoxymethyl)piperidin-1-yl]-2-pyridinyl]amino]piperidine-2,6-dione
CID 176705502
N-(2,6-dioxopiperidin-3-yl)-5-[4-[[1-(2-fluorophenyl)piperidin-4-yl]methyl]piperazin-1-yl]pyridine-2-carboxamide
CID 170728597
3-[4-(4-piperidin-4-ylpiperidin-1-yl)anilino]piperidine-2,6-dione
CID 164719832
3-[2-[4-(piperidin-4-ylmethyl)piperazin-1-yl]-4-pyridinyl]piperidine-2,6-dione
CID 166113557
3-[[3-oxo-6-[4-(piperidin-4-ylmethyl)piperazin-1-yl]-1,2-dihydroinden-2-yl]methyl]piperidine-2,6-dione
CID 177194822
N-[(3S)-2,6-dioxopiperidin-3-yl]-5-[4-[[(3S)-3-fluoropiperidin-1-yl]methyl]piperidin-1-yl]pyridine-2-carboxamide
CID 167190155
2-[4-[6-[(2,6-dioxopiperidin-3-yl)amino]-3-pyridinyl]piperidin-1-yl]acetic acid
CID 171108561
3-[1-methyl-3-oxo-6-[4-(piperidin-4-ylmethyl)piperazin-1-yl]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 155673280
3-[4-[(1-aminopiperidin-4-yl)methyl]piperazin-1-yl]-N-(2,6-dioxopiperidin-3-yl)benzamide
CID 167463620
3-[3-[4-(cyclohexylmethyl)piperazin-1-yl]-2-fluoroanilino]piperidine-2,6-dione
CID 170952320

Frequently Asked Questions

What is the IUPAC name of 3-[[5-[4-(piperidin-4-ylmethyl)piperazin-1-yl]-2-pyridinyl]amino]piperidine-2,6-dione?
The IUPAC name of 3-[[5-[4-(piperidin-4-ylmethyl)piperazin-1-yl]-2-pyridinyl]amino]piperidine-2,6-dione (CID 177300792) is 3-[[5-[4-(piperidin-4-ylmethyl)piperazin-1-yl]-2-pyridinyl]amino]piperidine-2,6-dione.
What is the SMILES notation for 3-[[5-[4-(piperidin-4-ylmethyl)piperazin-1-yl]-2-pyridinyl]amino]piperidine-2,6-dione?
The canonical SMILES for 3-[[5-[4-(piperidin-4-ylmethyl)piperazin-1-yl]-2-pyridinyl]amino]piperidine-2,6-dione is O=C1CCC(Nc2ccc(N3CCN(CC4CCNCC4)CC3)cn2)C(=O)N1.
What is the InChIKey of 3-[[5-[4-(piperidin-4-ylmethyl)piperazin-1-yl]-2-pyridinyl]amino]piperidine-2,6-dione?
The InChIKey is BAMOZIXBYQIFKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N6O2/c27-19-4-2-17(20(28)24-19)23-18-3-1-16(13-22-18)26-11-9-25(10-12-26)14-15-5-7-21-8-6-15/h1,3,13,15,17,21H,2,4-12,14H2,(H,22,23)(H,24,27,28).
What are the key properties of 3-[[5-[4-(piperidin-4-ylmethyl)piperazin-1-yl]-2-pyridinyl]amino]piperidine-2,6-dione?
3-[[5-[4-(piperidin-4-ylmethyl)piperazin-1-yl]-2-pyridinyl]amino]piperidine-2,6-dione has a molecular weight of 386.50 g/mol, XLogP of 0.42, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-[4-(piperidin-4-ylmethyl)piperazin-1-yl]-2-pyridinyl]amino]piperidine-2,6-dione is sourced from PubChem (CID 177300792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).