5-methoxy-2-[4-[1-(4-methylpiperazin-1-yl)ethyl]piperidine-1-carbonyl]pyran-4-one

C19H29N3O4 — CID 72907487

IUPAC5-methoxy-2-[4-[1-(4-methylpiperazin-1-yl)ethyl]piperidine-1-carbonyl]pyran-4-one
SMILESCOc1coc(C(=O)N2CCC(C(C)N3CCN(C)CC3)CC2)cc1=O
InChIInChI=1S/C19H29N3O4/c1-14(21-10-8-20(2)9-11-21)15-4-6-22(7-5-15)19(24)17-12-16(23)18(25-3)13-26-17/h12-15H,4-11H2,1-3H3
InChIKeySQOYHKPATZDWTC-UHFFFAOYSA-N
MW363.46 g/mol
LogP1.14
Rot. Bonds4

About 5-methoxy-2-[4-[1-(4-methylpiperazin-1-yl)ethyl]piperidine-1-carbonyl]pyran-4-one

5-methoxy-2-[4-[1-(4-methylpiperazin-1-yl)ethyl]piperidine-1-carbonyl]pyran-4-one (PubChem CID 72907487) has the molecular formula C19H29N3O4 and a molecular weight of 363.46 g/mol. Its IUPAC name is 5-methoxy-2-[4-[1-(4-methylpiperazin-1-yl)ethyl]piperidine-1-carbonyl]pyran-4-one.

Molecular Properties

Compound Name5-methoxy-2-[4-[1-(4-methylpiperazin-1-yl)ethyl]piperidine-1-carbonyl]pyran-4-one
PubChem CID72907487
Molecular FormulaC19H29N3O4
Molecular Weight363.46 g/mol
Exact Mass363.22
IUPAC Name5-methoxy-2-[4-[1-(4-methylpiperazin-1-yl)ethyl]piperidine-1-carbonyl]pyran-4-one
SMILESCOc1coc(C(=O)N2CCC(C(C)N3CCN(C)CC3)CC2)cc1=O
InChIInChI=1S/C19H29N3O4/c1-14(21-10-8-20(2)9-11-21)15-4-6-22(7-5-15)19(24)17-12-16(23)18(25-3)13-26-17/h12-15H,4-11H2,1-3H3
InChIKeySQOYHKPATZDWTC-UHFFFAOYSA-N
XLogP1.14
TPSA66.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[4-[1-(4-methylpiperazin-1-yl)ethyl]piperidine-1-carbonyl]pyran-4-one?
The IUPAC name of 5-methoxy-2-[4-[1-(4-methylpiperazin-1-yl)ethyl]piperidine-1-carbonyl]pyran-4-one (CID 72907487) is 5-methoxy-2-[4-[1-(4-methylpiperazin-1-yl)ethyl]piperidine-1-carbonyl]pyran-4-one.
What is the SMILES notation for 5-methoxy-2-[4-[1-(4-methylpiperazin-1-yl)ethyl]piperidine-1-carbonyl]pyran-4-one?
The canonical SMILES for 5-methoxy-2-[4-[1-(4-methylpiperazin-1-yl)ethyl]piperidine-1-carbonyl]pyran-4-one is COc1coc(C(=O)N2CCC(C(C)N3CCN(C)CC3)CC2)cc1=O.
What is the InChIKey of 5-methoxy-2-[4-[1-(4-methylpiperazin-1-yl)ethyl]piperidine-1-carbonyl]pyran-4-one?
The InChIKey is SQOYHKPATZDWTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O4/c1-14(21-10-8-20(2)9-11-21)15-4-6-22(7-5-15)19(24)17-12-16(23)18(25-3)13-26-17/h12-15H,4-11H2,1-3H3.
What are the key properties of 5-methoxy-2-[4-[1-(4-methylpiperazin-1-yl)ethyl]piperidine-1-carbonyl]pyran-4-one?
5-methoxy-2-[4-[1-(4-methylpiperazin-1-yl)ethyl]piperidine-1-carbonyl]pyran-4-one has a molecular weight of 363.46 g/mol, XLogP of 1.14, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[4-[1-(4-methylpiperazin-1-yl)ethyl]piperidine-1-carbonyl]pyran-4-one is sourced from PubChem (CID 72907487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).