methane;1-methyl-3-[4-(4-methyl-2-methylidene-5-oxoimidazolidin-4-yl)piperidine-1-carbonyl]-6-propan-2-ylpyridin-2-one

C21H32N4O3 — CID 160507414

IUPACmethane;1-methyl-3-[4-(4-methyl-2-methylidene-5-oxoimidazolidin-4-yl)piperidine-1-carbonyl]-6-propan-2-ylpyridin-2-one
SMILESC.C=C1NC(=O)C(C)(C2CCN(C(=O)c3ccc(C(C)C)n(C)c3=O)CC2)N1
InChIInChI=1S/C20H28N4O3.CH4/c1-12(2)16-7-6-15(17(25)23(16)5)18(26)24-10-8-14(9-11-24)20(4)19(27)21-13(3)22-20;/h6-7,12,14,22H,3,8-11H2,1-2,4-5H3,(H,21,27);1H4
InChIKeyQSPBSBFXPGZYRM-UHFFFAOYSA-N
MW388.51 g/mol
LogP1.95
Rot. Bonds3

About methane;1-methyl-3-[4-(4-methyl-2-methylidene-5-oxoimidazolidin-4-yl)piperidine-1-carbonyl]-6-propan-2-ylpyridin-2-one

methane;1-methyl-3-[4-(4-methyl-2-methylidene-5-oxoimidazolidin-4-yl)piperidine-1-carbonyl]-6-propan-2-ylpyridin-2-one (PubChem CID 160507414) has the molecular formula C21H32N4O3 and a molecular weight of 388.51 g/mol. Its IUPAC name is methane;1-methyl-3-[4-(4-methyl-2-methylidene-5-oxoimidazolidin-4-yl)piperidine-1-carbonyl]-6-propan-2-ylpyridin-2-one.

Molecular Properties

Compound Namemethane;1-methyl-3-[4-(4-methyl-2-methylidene-5-oxoimidazolidin-4-yl)piperidine-1-carbonyl]-6-propan-2-ylpyridin-2-one
PubChem CID160507414
Molecular FormulaC21H32N4O3
Molecular Weight388.51 g/mol
Exact Mass388.25
IUPAC Namemethane;1-methyl-3-[4-(4-methyl-2-methylidene-5-oxoimidazolidin-4-yl)piperidine-1-carbonyl]-6-propan-2-ylpyridin-2-one
SMILESC.C=C1NC(=O)C(C)(C2CCN(C(=O)c3ccc(C(C)C)n(C)c3=O)CC2)N1
InChIInChI=1S/C20H28N4O3.CH4/c1-12(2)16-7-6-15(17(25)23(16)5)18(26)24-10-8-14(9-11-24)20(4)19(27)21-13(3)22-20;/h6-7,12,14,22H,3,8-11H2,1-2,4-5H3,(H,21,27);1H4
InChIKeyQSPBSBFXPGZYRM-UHFFFAOYSA-N
XLogP1.95
TPSA83.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methane;1-methyl-3-[4-(4-methyl-2-methylidene-5-oxoimidazolidin-4-yl)piperidine-1-carbonyl]-6-propan-2-ylpyridin-2-one?
The IUPAC name of methane;1-methyl-3-[4-(4-methyl-2-methylidene-5-oxoimidazolidin-4-yl)piperidine-1-carbonyl]-6-propan-2-ylpyridin-2-one (CID 160507414) is methane;1-methyl-3-[4-(4-methyl-2-methylidene-5-oxoimidazolidin-4-yl)piperidine-1-carbonyl]-6-propan-2-ylpyridin-2-one.
What is the SMILES notation for methane;1-methyl-3-[4-(4-methyl-2-methylidene-5-oxoimidazolidin-4-yl)piperidine-1-carbonyl]-6-propan-2-ylpyridin-2-one?
The canonical SMILES for methane;1-methyl-3-[4-(4-methyl-2-methylidene-5-oxoimidazolidin-4-yl)piperidine-1-carbonyl]-6-propan-2-ylpyridin-2-one is C.C=C1NC(=O)C(C)(C2CCN(C(=O)c3ccc(C(C)C)n(C)c3=O)CC2)N1.
What is the InChIKey of methane;1-methyl-3-[4-(4-methyl-2-methylidene-5-oxoimidazolidin-4-yl)piperidine-1-carbonyl]-6-propan-2-ylpyridin-2-one?
The InChIKey is QSPBSBFXPGZYRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O3.CH4/c1-12(2)16-7-6-15(17(25)23(16)5)18(26)24-10-8-14(9-11-24)20(4)19(27)21-13(3)22-20;/h6-7,12,14,22H,3,8-11H2,1-2,4-5H3,(H,21,27);1H4.
What are the key properties of methane;1-methyl-3-[4-(4-methyl-2-methylidene-5-oxoimidazolidin-4-yl)piperidine-1-carbonyl]-6-propan-2-ylpyridin-2-one?
methane;1-methyl-3-[4-(4-methyl-2-methylidene-5-oxoimidazolidin-4-yl)piperidine-1-carbonyl]-6-propan-2-ylpyridin-2-one has a molecular weight of 388.51 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1-methyl-3-[4-(4-methyl-2-methylidene-5-oxoimidazolidin-4-yl)piperidine-1-carbonyl]-6-propan-2-ylpyridin-2-one is sourced from PubChem (CID 160507414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).