formic acid;2-methyl-5-[4-[1-(4-methylpiperazin-1-yl)ethyl]piperidine-1-carbonyl]-1H-pyridin-4-one

C20H32N4O4 — CID 154915328

IUPACformic acid;2-methyl-5-[4-[1-(4-methylpiperazin-1-yl)ethyl]piperidine-1-carbonyl]-1H-pyridin-4-one
SMILESCc1cc(=O)c(C(=O)N2CCC(C(C)N3CCN(C)CC3)CC2)c[nH]1.O=CO
InChIInChI=1S/C19H30N4O2.CH2O2/c1-14-12-18(24)17(13-20-14)19(25)23-6-4-16(5-7-23)15(2)22-10-8-21(3)9-11-22;2-1-3/h12-13,15-16H,4-11H2,1-3H3,(H,20,24);1H,(H,2,3)
InChIKeyGXJRLTPDABFYFG-UHFFFAOYSA-N
MW392.50 g/mol
LogP0.87
Rot. Bonds3

About formic acid;2-methyl-5-[4-[1-(4-methylpiperazin-1-yl)ethyl]piperidine-1-carbonyl]-1H-pyridin-4-one

formic acid;2-methyl-5-[4-[1-(4-methylpiperazin-1-yl)ethyl]piperidine-1-carbonyl]-1H-pyridin-4-one (PubChem CID 154915328) has the molecular formula C20H32N4O4 and a molecular weight of 392.50 g/mol. Its IUPAC name is formic acid;2-methyl-5-[4-[1-(4-methylpiperazin-1-yl)ethyl]piperidine-1-carbonyl]-1H-pyridin-4-one.

Molecular Properties

Compound Nameformic acid;2-methyl-5-[4-[1-(4-methylpiperazin-1-yl)ethyl]piperidine-1-carbonyl]-1H-pyridin-4-one
PubChem CID154915328
Molecular FormulaC20H32N4O4
Molecular Weight392.50 g/mol
Exact Mass392.24
IUPAC Nameformic acid;2-methyl-5-[4-[1-(4-methylpiperazin-1-yl)ethyl]piperidine-1-carbonyl]-1H-pyridin-4-one
SMILESCc1cc(=O)c(C(=O)N2CCC(C(C)N3CCN(C)CC3)CC2)c[nH]1.O=CO
InChIInChI=1S/C19H30N4O2.CH2O2/c1-14-12-18(24)17(13-20-14)19(25)23-6-4-16(5-7-23)15(2)22-10-8-21(3)9-11-22;2-1-3/h12-13,15-16H,4-11H2,1-3H3,(H,20,24);1H,(H,2,3)
InChIKeyGXJRLTPDABFYFG-UHFFFAOYSA-N
XLogP0.87
TPSA96.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of formic acid;2-methyl-5-[4-[1-(4-methylpiperazin-1-yl)ethyl]piperidine-1-carbonyl]-1H-pyridin-4-one?
The IUPAC name of formic acid;2-methyl-5-[4-[1-(4-methylpiperazin-1-yl)ethyl]piperidine-1-carbonyl]-1H-pyridin-4-one (CID 154915328) is formic acid;2-methyl-5-[4-[1-(4-methylpiperazin-1-yl)ethyl]piperidine-1-carbonyl]-1H-pyridin-4-one.
What is the SMILES notation for formic acid;2-methyl-5-[4-[1-(4-methylpiperazin-1-yl)ethyl]piperidine-1-carbonyl]-1H-pyridin-4-one?
The canonical SMILES for formic acid;2-methyl-5-[4-[1-(4-methylpiperazin-1-yl)ethyl]piperidine-1-carbonyl]-1H-pyridin-4-one is Cc1cc(=O)c(C(=O)N2CCC(C(C)N3CCN(C)CC3)CC2)c[nH]1.O=CO.
What is the InChIKey of formic acid;2-methyl-5-[4-[1-(4-methylpiperazin-1-yl)ethyl]piperidine-1-carbonyl]-1H-pyridin-4-one?
The InChIKey is GXJRLTPDABFYFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2.CH2O2/c1-14-12-18(24)17(13-20-14)19(25)23-6-4-16(5-7-23)15(2)22-10-8-21(3)9-11-22;2-1-3/h12-13,15-16H,4-11H2,1-3H3,(H,20,24);1H,(H,2,3).
What are the key properties of formic acid;2-methyl-5-[4-[1-(4-methylpiperazin-1-yl)ethyl]piperidine-1-carbonyl]-1H-pyridin-4-one?
formic acid;2-methyl-5-[4-[1-(4-methylpiperazin-1-yl)ethyl]piperidine-1-carbonyl]-1H-pyridin-4-one has a molecular weight of 392.50 g/mol, XLogP of 0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;2-methyl-5-[4-[1-(4-methylpiperazin-1-yl)ethyl]piperidine-1-carbonyl]-1H-pyridin-4-one is sourced from PubChem (CID 154915328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).