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

C18H26N4O4 — CID 176705444

IUPAC3-[[6-[4-(dimethoxymethyl)piperidin-1-yl]-3-pyridinyl]amino]piperidine-2,6-dione
SMILESCOC(OC)C1CCN(c2ccc(NC3CCC(=O)NC3=O)cn2)CC1
InChIInChI=1S/C18H26N4O4/c1-25-18(26-2)12-7-9-22(10-8-12)15-5-3-13(11-19-15)20-14-4-6-16(23)21-17(14)24/h3,5,11-12,14,18,20H,4,6-10H2,1-2H3,(H,21,23,24)
InChIKeyDIJHYWDFERLSTN-UHFFFAOYSA-N
MW362.43 g/mol
LogP1.13
Rot. Bonds6

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

3-[[6-[4-(dimethoxymethyl)piperidin-1-yl]-3-pyridinyl]amino]piperidine-2,6-dione (PubChem CID 176705444) has the molecular formula C18H26N4O4 and a molecular weight of 362.43 g/mol. Its IUPAC name is 3-[[6-[4-(dimethoxymethyl)piperidin-1-yl]-3-pyridinyl]amino]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[[6-[4-(dimethoxymethyl)piperidin-1-yl]-3-pyridinyl]amino]piperidine-2,6-dione
PubChem CID176705444
Molecular FormulaC18H26N4O4
Molecular Weight362.43 g/mol
Exact Mass362.20
IUPAC Name3-[[6-[4-(dimethoxymethyl)piperidin-1-yl]-3-pyridinyl]amino]piperidine-2,6-dione
SMILESCOC(OC)C1CCN(c2ccc(NC3CCC(=O)NC3=O)cn2)CC1
InChIInChI=1S/C18H26N4O4/c1-25-18(26-2)12-7-9-22(10-8-12)15-5-3-13(11-19-15)20-14-4-6-16(23)21-17(14)24/h3,5,11-12,14,18,20H,4,6-10H2,1-2H3,(H,21,23,24)
InChIKeyDIJHYWDFERLSTN-UHFFFAOYSA-N
XLogP1.13
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[[6-[4-(dimethoxymethyl)piperidin-1-yl]-3-pyridinyl]amino]piperidine-2,6-dione?
The IUPAC name of 3-[[6-[4-(dimethoxymethyl)piperidin-1-yl]-3-pyridinyl]amino]piperidine-2,6-dione (CID 176705444) is 3-[[6-[4-(dimethoxymethyl)piperidin-1-yl]-3-pyridinyl]amino]piperidine-2,6-dione.
What is the SMILES notation for 3-[[6-[4-(dimethoxymethyl)piperidin-1-yl]-3-pyridinyl]amino]piperidine-2,6-dione?
The canonical SMILES for 3-[[6-[4-(dimethoxymethyl)piperidin-1-yl]-3-pyridinyl]amino]piperidine-2,6-dione is COC(OC)C1CCN(c2ccc(NC3CCC(=O)NC3=O)cn2)CC1.
What is the InChIKey of 3-[[6-[4-(dimethoxymethyl)piperidin-1-yl]-3-pyridinyl]amino]piperidine-2,6-dione?
The InChIKey is DIJHYWDFERLSTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O4/c1-25-18(26-2)12-7-9-22(10-8-12)15-5-3-13(11-19-15)20-14-4-6-16(23)21-17(14)24/h3,5,11-12,14,18,20H,4,6-10H2,1-2H3,(H,21,23,24).
What are the key properties of 3-[[6-[4-(dimethoxymethyl)piperidin-1-yl]-3-pyridinyl]amino]piperidine-2,6-dione?
3-[[6-[4-(dimethoxymethyl)piperidin-1-yl]-3-pyridinyl]amino]piperidine-2,6-dione has a molecular weight of 362.43 g/mol, XLogP of 1.13, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-[4-(dimethoxymethyl)piperidin-1-yl]-3-pyridinyl]amino]piperidine-2,6-dione is sourced from PubChem (CID 176705444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).