1-(3-amino-2-methylpropyl)-4-(1-methylpiperidin-3-yl)imidazolidin-2-one

C13H26N4O — CID 116978731

IUPAC1-(3-amino-2-methylpropyl)-4-(1-methylpiperidin-3-yl)imidazolidin-2-one
SMILESCC(CN)CN1CC(C2CCCN(C)C2)NC1=O
InChIInChI=1S/C13H26N4O/c1-10(6-14)7-17-9-12(15-13(17)18)11-4-3-5-16(2)8-11/h10-12H,3-9,14H2,1-2H3,(H,15,18)
InChIKeyOCURWWLPALRDBE-UHFFFAOYSA-N
MW254.38 g/mol
LogP0.32
Rot. Bonds4

About 1-(3-amino-2-methylpropyl)-4-(1-methylpiperidin-3-yl)imidazolidin-2-one

1-(3-amino-2-methylpropyl)-4-(1-methylpiperidin-3-yl)imidazolidin-2-one (PubChem CID 116978731) has the molecular formula C13H26N4O and a molecular weight of 254.38 g/mol. Its IUPAC name is 1-(3-amino-2-methylpropyl)-4-(1-methylpiperidin-3-yl)imidazolidin-2-one.

Molecular Properties

Compound Name1-(3-amino-2-methylpropyl)-4-(1-methylpiperidin-3-yl)imidazolidin-2-one
PubChem CID116978731
Molecular FormulaC13H26N4O
Molecular Weight254.38 g/mol
Exact Mass254.21
IUPAC Name1-(3-amino-2-methylpropyl)-4-(1-methylpiperidin-3-yl)imidazolidin-2-one
SMILESCC(CN)CN1CC(C2CCCN(C)C2)NC1=O
InChIInChI=1S/C13H26N4O/c1-10(6-14)7-17-9-12(15-13(17)18)11-4-3-5-16(2)8-11/h10-12H,3-9,14H2,1-2H3,(H,15,18)
InChIKeyOCURWWLPALRDBE-UHFFFAOYSA-N
XLogP0.32
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-2-methylpropyl)-4-(1-methylpiperidin-3-yl)imidazolidin-2-one?
The IUPAC name of 1-(3-amino-2-methylpropyl)-4-(1-methylpiperidin-3-yl)imidazolidin-2-one (CID 116978731) is 1-(3-amino-2-methylpropyl)-4-(1-methylpiperidin-3-yl)imidazolidin-2-one.
What is the SMILES notation for 1-(3-amino-2-methylpropyl)-4-(1-methylpiperidin-3-yl)imidazolidin-2-one?
The canonical SMILES for 1-(3-amino-2-methylpropyl)-4-(1-methylpiperidin-3-yl)imidazolidin-2-one is CC(CN)CN1CC(C2CCCN(C)C2)NC1=O.
What is the InChIKey of 1-(3-amino-2-methylpropyl)-4-(1-methylpiperidin-3-yl)imidazolidin-2-one?
The InChIKey is OCURWWLPALRDBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O/c1-10(6-14)7-17-9-12(15-13(17)18)11-4-3-5-16(2)8-11/h10-12H,3-9,14H2,1-2H3,(H,15,18).
What are the key properties of 1-(3-amino-2-methylpropyl)-4-(1-methylpiperidin-3-yl)imidazolidin-2-one?
1-(3-amino-2-methylpropyl)-4-(1-methylpiperidin-3-yl)imidazolidin-2-one has a molecular weight of 254.38 g/mol, XLogP of 0.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-2-methylpropyl)-4-(1-methylpiperidin-3-yl)imidazolidin-2-one is sourced from PubChem (CID 116978731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).