1-[4-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)butyl]-4,4-dimethylpiperidine-2,6-dione;hydrochloride

C22H31ClN4O3 — CID 45259311

IUPAC1-[4-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)butyl]-4,4-dimethylpiperidine-2,6-dione;hydrochloride
SMILESCC1(C)CC(=O)N(CCCCN2CCN(c3nccc4occc34)CC2)C(=O)C1.Cl
InChIInChI=1S/C22H30N4O3.ClH/c1-22(2)15-19(27)26(20(28)16-22)9-4-3-8-24-10-12-25(13-11-24)21-17-6-14-29-18(17)5-7-23-21;/h5-7,14H,3-4,8-13,15-16H2,1-2H3;1H
InChIKeyIWMFICDKMCSVGE-UHFFFAOYSA-N
MW434.97 g/mol
LogP3.33
Rot. Bonds6

About 1-[4-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)butyl]-4,4-dimethylpiperidine-2,6-dione;hydrochloride

1-[4-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)butyl]-4,4-dimethylpiperidine-2,6-dione;hydrochloride (PubChem CID 45259311) has the molecular formula C22H31ClN4O3 and a molecular weight of 434.97 g/mol. Its IUPAC name is 1-[4-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)butyl]-4,4-dimethylpiperidine-2,6-dione;hydrochloride.

Molecular Properties

Compound Name1-[4-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)butyl]-4,4-dimethylpiperidine-2,6-dione;hydrochloride
PubChem CID45259311
Molecular FormulaC22H31ClN4O3
Molecular Weight434.97 g/mol
Exact Mass434.21
IUPAC Name1-[4-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)butyl]-4,4-dimethylpiperidine-2,6-dione;hydrochloride
SMILESCC1(C)CC(=O)N(CCCCN2CCN(c3nccc4occc34)CC2)C(=O)C1.Cl
InChIInChI=1S/C22H30N4O3.ClH/c1-22(2)15-19(27)26(20(28)16-22)9-4-3-8-24-10-12-25(13-11-24)21-17-6-14-29-18(17)5-7-23-21;/h5-7,14H,3-4,8-13,15-16H2,1-2H3;1H
InChIKeyIWMFICDKMCSVGE-UHFFFAOYSA-N
XLogP3.33
TPSA69.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.97
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)butyl]-4,4-dimethylpiperidine-2,6-dione;hydrochloride?
The IUPAC name of 1-[4-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)butyl]-4,4-dimethylpiperidine-2,6-dione;hydrochloride (CID 45259311) is 1-[4-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)butyl]-4,4-dimethylpiperidine-2,6-dione;hydrochloride.
What is the SMILES notation for 1-[4-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)butyl]-4,4-dimethylpiperidine-2,6-dione;hydrochloride?
The canonical SMILES for 1-[4-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)butyl]-4,4-dimethylpiperidine-2,6-dione;hydrochloride is CC1(C)CC(=O)N(CCCCN2CCN(c3nccc4occc34)CC2)C(=O)C1.Cl.
What is the InChIKey of 1-[4-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)butyl]-4,4-dimethylpiperidine-2,6-dione;hydrochloride?
The InChIKey is IWMFICDKMCSVGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O3.ClH/c1-22(2)15-19(27)26(20(28)16-22)9-4-3-8-24-10-12-25(13-11-24)21-17-6-14-29-18(17)5-7-23-21;/h5-7,14H,3-4,8-13,15-16H2,1-2H3;1H.
What are the key properties of 1-[4-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)butyl]-4,4-dimethylpiperidine-2,6-dione;hydrochloride?
1-[4-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)butyl]-4,4-dimethylpiperidine-2,6-dione;hydrochloride has a molecular weight of 434.97 g/mol, XLogP of 3.33, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)butyl]-4,4-dimethylpiperidine-2,6-dione;hydrochloride is sourced from PubChem (CID 45259311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).