4,4-dimethyl-1-[4-[4-(2-methylfuro[3,2-c]pyridin-4-yl)piperazin-1-yl]butyl]piperidine-2,6-dione;hydrochloride

C23H33ClN4O3 — CID 45259329

IUPAC4,4-dimethyl-1-[4-[4-(2-methylfuro[3,2-c]pyridin-4-yl)piperazin-1-yl]butyl]piperidine-2,6-dione;hydrochloride
SMILESCc1cc2c(N3CCN(CCCCN4C(=O)CC(C)(C)CC4=O)CC3)nccc2o1.Cl
InChIInChI=1S/C23H32N4O3.ClH/c1-17-14-18-19(30-17)6-7-24-22(18)26-12-10-25(11-13-26)8-4-5-9-27-20(28)15-23(2,3)16-21(27)29;/h6-7,14H,4-5,8-13,15-16H2,1-3H3;1H
InChIKeyLMUHHUAJPDPBMG-UHFFFAOYSA-N
MW449.00 g/mol
LogP3.64
Rot. Bonds6

About 4,4-dimethyl-1-[4-[4-(2-methylfuro[3,2-c]pyridin-4-yl)piperazin-1-yl]butyl]piperidine-2,6-dione;hydrochloride

4,4-dimethyl-1-[4-[4-(2-methylfuro[3,2-c]pyridin-4-yl)piperazin-1-yl]butyl]piperidine-2,6-dione;hydrochloride (PubChem CID 45259329) has the molecular formula C23H33ClN4O3 and a molecular weight of 449.00 g/mol. Its IUPAC name is 4,4-dimethyl-1-[4-[4-(2-methylfuro[3,2-c]pyridin-4-yl)piperazin-1-yl]butyl]piperidine-2,6-dione;hydrochloride.

Molecular Properties

Compound Name4,4-dimethyl-1-[4-[4-(2-methylfuro[3,2-c]pyridin-4-yl)piperazin-1-yl]butyl]piperidine-2,6-dione;hydrochloride
PubChem CID45259329
Molecular FormulaC23H33ClN4O3
Molecular Weight449.00 g/mol
Exact Mass448.22
IUPAC Name4,4-dimethyl-1-[4-[4-(2-methylfuro[3,2-c]pyridin-4-yl)piperazin-1-yl]butyl]piperidine-2,6-dione;hydrochloride
SMILESCc1cc2c(N3CCN(CCCCN4C(=O)CC(C)(C)CC4=O)CC3)nccc2o1.Cl
InChIInChI=1S/C23H32N4O3.ClH/c1-17-14-18-19(30-17)6-7-24-22(18)26-12-10-25(11-13-26)8-4-5-9-27-20(28)15-23(2,3)16-21(27)29;/h6-7,14H,4-5,8-13,15-16H2,1-3H3;1H
InChIKeyLMUHHUAJPDPBMG-UHFFFAOYSA-N
XLogP3.64
TPSA69.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.00
LogP ≤ 53.64
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 4,4-dimethyl-1-[4-[4-(2-methylfuro[3,2-c]pyridin-4-yl)piperazin-1-yl]butyl]piperidine-2,6-dione;hydrochloride?
The IUPAC name of 4,4-dimethyl-1-[4-[4-(2-methylfuro[3,2-c]pyridin-4-yl)piperazin-1-yl]butyl]piperidine-2,6-dione;hydrochloride (CID 45259329) is 4,4-dimethyl-1-[4-[4-(2-methylfuro[3,2-c]pyridin-4-yl)piperazin-1-yl]butyl]piperidine-2,6-dione;hydrochloride.
What is the SMILES notation for 4,4-dimethyl-1-[4-[4-(2-methylfuro[3,2-c]pyridin-4-yl)piperazin-1-yl]butyl]piperidine-2,6-dione;hydrochloride?
The canonical SMILES for 4,4-dimethyl-1-[4-[4-(2-methylfuro[3,2-c]pyridin-4-yl)piperazin-1-yl]butyl]piperidine-2,6-dione;hydrochloride is Cc1cc2c(N3CCN(CCCCN4C(=O)CC(C)(C)CC4=O)CC3)nccc2o1.Cl.
What is the InChIKey of 4,4-dimethyl-1-[4-[4-(2-methylfuro[3,2-c]pyridin-4-yl)piperazin-1-yl]butyl]piperidine-2,6-dione;hydrochloride?
The InChIKey is LMUHHUAJPDPBMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O3.ClH/c1-17-14-18-19(30-17)6-7-24-22(18)26-12-10-25(11-13-26)8-4-5-9-27-20(28)15-23(2,3)16-21(27)29;/h6-7,14H,4-5,8-13,15-16H2,1-3H3;1H.
What are the key properties of 4,4-dimethyl-1-[4-[4-(2-methylfuro[3,2-c]pyridin-4-yl)piperazin-1-yl]butyl]piperidine-2,6-dione;hydrochloride?
4,4-dimethyl-1-[4-[4-(2-methylfuro[3,2-c]pyridin-4-yl)piperazin-1-yl]butyl]piperidine-2,6-dione;hydrochloride has a molecular weight of 449.00 g/mol, XLogP of 3.64, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-[4-[4-(2-methylfuro[3,2-c]pyridin-4-yl)piperazin-1-yl]butyl]piperidine-2,6-dione;hydrochloride is sourced from PubChem (CID 45259329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).