1-[4-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)amino]butyl]-4,4-dimethylpiperidine-2,6-dione

C21H30N2O4 — CID 10339395

IUPAC1-[4-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)amino]butyl]-4,4-dimethylpiperidine-2,6-dione
SMILESCOc1cccc2c1CC(NCCCCN1C(=O)CC(C)(C)CC1=O)CO2
InChIInChI=1S/C21H30N2O4/c1-21(2)12-19(24)23(20(25)13-21)10-5-4-9-22-15-11-16-17(26-3)7-6-8-18(16)27-14-15/h6-8,15,22H,4-5,9-14H2,1-3H3
InChIKeyKQAAENLIAMRMSI-UHFFFAOYSA-N
MW374.48 g/mol
LogP2.54
Rot. Bonds7

About 1-[4-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)amino]butyl]-4,4-dimethylpiperidine-2,6-dione

1-[4-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)amino]butyl]-4,4-dimethylpiperidine-2,6-dione (PubChem CID 10339395) has the molecular formula C21H30N2O4 and a molecular weight of 374.48 g/mol. Its IUPAC name is 1-[4-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)amino]butyl]-4,4-dimethylpiperidine-2,6-dione.

Molecular Properties

Compound Name1-[4-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)amino]butyl]-4,4-dimethylpiperidine-2,6-dione
PubChem CID10339395
Molecular FormulaC21H30N2O4
Molecular Weight374.48 g/mol
Exact Mass374.22
IUPAC Name1-[4-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)amino]butyl]-4,4-dimethylpiperidine-2,6-dione
SMILESCOc1cccc2c1CC(NCCCCN1C(=O)CC(C)(C)CC1=O)CO2
InChIInChI=1S/C21H30N2O4/c1-21(2)12-19(24)23(20(25)13-21)10-5-4-9-22-15-11-16-17(26-3)7-6-8-18(16)27-14-15/h6-8,15,22H,4-5,9-14H2,1-3H3
InChIKeyKQAAENLIAMRMSI-UHFFFAOYSA-N
XLogP2.54
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)amino]butyl]-4,4-dimethylpiperidine-2,6-dione?
The IUPAC name of 1-[4-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)amino]butyl]-4,4-dimethylpiperidine-2,6-dione (CID 10339395) is 1-[4-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)amino]butyl]-4,4-dimethylpiperidine-2,6-dione.
What is the SMILES notation for 1-[4-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)amino]butyl]-4,4-dimethylpiperidine-2,6-dione?
The canonical SMILES for 1-[4-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)amino]butyl]-4,4-dimethylpiperidine-2,6-dione is COc1cccc2c1CC(NCCCCN1C(=O)CC(C)(C)CC1=O)CO2.
What is the InChIKey of 1-[4-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)amino]butyl]-4,4-dimethylpiperidine-2,6-dione?
The InChIKey is KQAAENLIAMRMSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O4/c1-21(2)12-19(24)23(20(25)13-21)10-5-4-9-22-15-11-16-17(26-3)7-6-8-18(16)27-14-15/h6-8,15,22H,4-5,9-14H2,1-3H3.
What are the key properties of 1-[4-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)amino]butyl]-4,4-dimethylpiperidine-2,6-dione?
1-[4-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)amino]butyl]-4,4-dimethylpiperidine-2,6-dione has a molecular weight of 374.48 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)amino]butyl]-4,4-dimethylpiperidine-2,6-dione is sourced from PubChem (CID 10339395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).