4-methyl-3-[4-(2-methylprop-2-enyl)piperazine-1-carbonyl]-6-piperidin-3-ylpyran-2-one

C20H29N3O3 — CID 170510204

IUPAC4-methyl-3-[4-(2-methylprop-2-enyl)piperazine-1-carbonyl]-6-piperidin-3-ylpyran-2-one
SMILESC=C(C)CN1CCN(C(=O)c2c(C)cc(C3CCCNC3)oc2=O)CC1
InChIInChI=1S/C20H29N3O3/c1-14(2)13-22-7-9-23(10-8-22)19(24)18-15(3)11-17(26-20(18)25)16-5-4-6-21-12-16/h11,16,21H,1,4-10,12-13H2,2-3H3
InChIKeyWTEDWLVUJXPAEN-UHFFFAOYSA-N
MW359.47 g/mol
LogP1.75
Rot. Bonds4

About 4-methyl-3-[4-(2-methylprop-2-enyl)piperazine-1-carbonyl]-6-piperidin-3-ylpyran-2-one

4-methyl-3-[4-(2-methylprop-2-enyl)piperazine-1-carbonyl]-6-piperidin-3-ylpyran-2-one (PubChem CID 170510204) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is 4-methyl-3-[4-(2-methylprop-2-enyl)piperazine-1-carbonyl]-6-piperidin-3-ylpyran-2-one.

Molecular Properties

Compound Name4-methyl-3-[4-(2-methylprop-2-enyl)piperazine-1-carbonyl]-6-piperidin-3-ylpyran-2-one
PubChem CID170510204
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Name4-methyl-3-[4-(2-methylprop-2-enyl)piperazine-1-carbonyl]-6-piperidin-3-ylpyran-2-one
SMILESC=C(C)CN1CCN(C(=O)c2c(C)cc(C3CCCNC3)oc2=O)CC1
InChIInChI=1S/C20H29N3O3/c1-14(2)13-22-7-9-23(10-8-22)19(24)18-15(3)11-17(26-20(18)25)16-5-4-6-21-12-16/h11,16,21H,1,4-10,12-13H2,2-3H3
InChIKeyWTEDWLVUJXPAEN-UHFFFAOYSA-N
XLogP1.75
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[4-(2-methylprop-2-enyl)piperazine-1-carbonyl]-6-piperidin-3-ylpyran-2-one?
The IUPAC name of 4-methyl-3-[4-(2-methylprop-2-enyl)piperazine-1-carbonyl]-6-piperidin-3-ylpyran-2-one (CID 170510204) is 4-methyl-3-[4-(2-methylprop-2-enyl)piperazine-1-carbonyl]-6-piperidin-3-ylpyran-2-one.
What is the SMILES notation for 4-methyl-3-[4-(2-methylprop-2-enyl)piperazine-1-carbonyl]-6-piperidin-3-ylpyran-2-one?
The canonical SMILES for 4-methyl-3-[4-(2-methylprop-2-enyl)piperazine-1-carbonyl]-6-piperidin-3-ylpyran-2-one is C=C(C)CN1CCN(C(=O)c2c(C)cc(C3CCCNC3)oc2=O)CC1.
What is the InChIKey of 4-methyl-3-[4-(2-methylprop-2-enyl)piperazine-1-carbonyl]-6-piperidin-3-ylpyran-2-one?
The InChIKey is WTEDWLVUJXPAEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-14(2)13-22-7-9-23(10-8-22)19(24)18-15(3)11-17(26-20(18)25)16-5-4-6-21-12-16/h11,16,21H,1,4-10,12-13H2,2-3H3.
What are the key properties of 4-methyl-3-[4-(2-methylprop-2-enyl)piperazine-1-carbonyl]-6-piperidin-3-ylpyran-2-one?
4-methyl-3-[4-(2-methylprop-2-enyl)piperazine-1-carbonyl]-6-piperidin-3-ylpyran-2-one has a molecular weight of 359.47 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[4-(2-methylprop-2-enyl)piperazine-1-carbonyl]-6-piperidin-3-ylpyran-2-one is sourced from PubChem (CID 170510204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).