4-methyl-4-piperidin-4-ylimidazolidin-2-one

C9H17N3O — CID 105440690

IUPAC4-methyl-4-piperidin-4-ylimidazolidin-2-one
SMILESCC1(C2CCNCC2)CNC(=O)N1
InChIInChI=1S/C9H17N3O/c1-9(6-11-8(13)12-9)7-2-4-10-5-3-7/h7,10H,2-6H2,1H3,(H2,11,12,13)
InChIKeySERYHIPMJQZHQV-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.06
Rot. Bonds1

About 4-methyl-4-piperidin-4-ylimidazolidin-2-one

4-methyl-4-piperidin-4-ylimidazolidin-2-one (PubChem CID 105440690) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 4-methyl-4-piperidin-4-ylimidazolidin-2-one.

Molecular Properties

Compound Name4-methyl-4-piperidin-4-ylimidazolidin-2-one
PubChem CID105440690
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name4-methyl-4-piperidin-4-ylimidazolidin-2-one
SMILESCC1(C2CCNCC2)CNC(=O)N1
InChIInChI=1S/C9H17N3O/c1-9(6-11-8(13)12-9)7-2-4-10-5-3-7/h7,10H,2-6H2,1H3,(H2,11,12,13)
InChIKeySERYHIPMJQZHQV-UHFFFAOYSA-N
XLogP0.06
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-piperidin-4-ylimidazolidin-2-one?
The IUPAC name of 4-methyl-4-piperidin-4-ylimidazolidin-2-one (CID 105440690) is 4-methyl-4-piperidin-4-ylimidazolidin-2-one.
What is the SMILES notation for 4-methyl-4-piperidin-4-ylimidazolidin-2-one?
The canonical SMILES for 4-methyl-4-piperidin-4-ylimidazolidin-2-one is CC1(C2CCNCC2)CNC(=O)N1.
What is the InChIKey of 4-methyl-4-piperidin-4-ylimidazolidin-2-one?
The InChIKey is SERYHIPMJQZHQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-9(6-11-8(13)12-9)7-2-4-10-5-3-7/h7,10H,2-6H2,1H3,(H2,11,12,13).
What are the key properties of 4-methyl-4-piperidin-4-ylimidazolidin-2-one?
4-methyl-4-piperidin-4-ylimidazolidin-2-one has a molecular weight of 183.25 g/mol, XLogP of 0.06, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-piperidin-4-ylimidazolidin-2-one is sourced from PubChem (CID 105440690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).