5-[4-(methylaminomethyl)piperidine-1-carbonyl]pyran-2-one

C13H18N2O3 — CID 55176058

IUPAC5-[4-(methylaminomethyl)piperidine-1-carbonyl]pyran-2-one
SMILESCNCC1CCN(C(=O)c2ccc(=O)oc2)CC1
InChIInChI=1S/C13H18N2O3/c1-14-8-10-4-6-15(7-5-10)13(17)11-2-3-12(16)18-9-11/h2-3,9-10,14H,4-8H2,1H3
InChIKeyVUARTTLQOHVQKK-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.71
Rot. Bonds3

About 5-[4-(methylaminomethyl)piperidine-1-carbonyl]pyran-2-one

5-[4-(methylaminomethyl)piperidine-1-carbonyl]pyran-2-one (PubChem CID 55176058) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 5-[4-(methylaminomethyl)piperidine-1-carbonyl]pyran-2-one.

Molecular Properties

Compound Name5-[4-(methylaminomethyl)piperidine-1-carbonyl]pyran-2-one
PubChem CID55176058
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name5-[4-(methylaminomethyl)piperidine-1-carbonyl]pyran-2-one
SMILESCNCC1CCN(C(=O)c2ccc(=O)oc2)CC1
InChIInChI=1S/C13H18N2O3/c1-14-8-10-4-6-15(7-5-10)13(17)11-2-3-12(16)18-9-11/h2-3,9-10,14H,4-8H2,1H3
InChIKeyVUARTTLQOHVQKK-UHFFFAOYSA-N
XLogP0.71
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(methylaminomethyl)piperidine-1-carbonyl]pyran-2-one?
The IUPAC name of 5-[4-(methylaminomethyl)piperidine-1-carbonyl]pyran-2-one (CID 55176058) is 5-[4-(methylaminomethyl)piperidine-1-carbonyl]pyran-2-one.
What is the SMILES notation for 5-[4-(methylaminomethyl)piperidine-1-carbonyl]pyran-2-one?
The canonical SMILES for 5-[4-(methylaminomethyl)piperidine-1-carbonyl]pyran-2-one is CNCC1CCN(C(=O)c2ccc(=O)oc2)CC1.
What is the InChIKey of 5-[4-(methylaminomethyl)piperidine-1-carbonyl]pyran-2-one?
The InChIKey is VUARTTLQOHVQKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-14-8-10-4-6-15(7-5-10)13(17)11-2-3-12(16)18-9-11/h2-3,9-10,14H,4-8H2,1H3.
What are the key properties of 5-[4-(methylaminomethyl)piperidine-1-carbonyl]pyran-2-one?
5-[4-(methylaminomethyl)piperidine-1-carbonyl]pyran-2-one has a molecular weight of 250.30 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(methylaminomethyl)piperidine-1-carbonyl]pyran-2-one is sourced from PubChem (CID 55176058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).