4-(1-methylpiperidin-3-yl)-1-pyrrolidin-3-ylimidazolidin-2-one

C13H24N4O — CID 116978996

IUPAC4-(1-methylpiperidin-3-yl)-1-pyrrolidin-3-ylimidazolidin-2-one
SMILESCN1CCCC(C2CN(C3CCNC3)C(=O)N2)C1
InChIInChI=1S/C13H24N4O/c1-16-6-2-3-10(8-16)12-9-17(13(18)15-12)11-4-5-14-7-11/h10-12,14H,2-9H2,1H3,(H,15,18)
InChIKeyPCKSQIKPRJTRCU-UHFFFAOYSA-N
MW252.36 g/mol
LogP0.08
Rot. Bonds2

About 4-(1-methylpiperidin-3-yl)-1-pyrrolidin-3-ylimidazolidin-2-one

4-(1-methylpiperidin-3-yl)-1-pyrrolidin-3-ylimidazolidin-2-one (PubChem CID 116978996) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 4-(1-methylpiperidin-3-yl)-1-pyrrolidin-3-ylimidazolidin-2-one.

Molecular Properties

Compound Name4-(1-methylpiperidin-3-yl)-1-pyrrolidin-3-ylimidazolidin-2-one
PubChem CID116978996
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name4-(1-methylpiperidin-3-yl)-1-pyrrolidin-3-ylimidazolidin-2-one
SMILESCN1CCCC(C2CN(C3CCNC3)C(=O)N2)C1
InChIInChI=1S/C13H24N4O/c1-16-6-2-3-10(8-16)12-9-17(13(18)15-12)11-4-5-14-7-11/h10-12,14H,2-9H2,1H3,(H,15,18)
InChIKeyPCKSQIKPRJTRCU-UHFFFAOYSA-N
XLogP0.08
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(azetidin-3-yl)-4-cyclopentylimidazolidin-2-one
CID 116978942
1-(4-aminocyclohexyl)-4-(1-methylpyrrolidin-3-yl)imidazolidin-2-one
CID 116979324
1-methyl-3-[(3S)-pyrrolidin-3-yl]imidazolidin-2-one
CID 96631898
3-(1-methylpyrrolidin-3-yl)piperidine
CID 82413007
1-(3-amino-2-methylpropyl)-4-(1-methylpiperidin-3-yl)imidazolidin-2-one
CID 116978731
1-pyrrolidin-3-ylpiperidin-2-one
CID 62329305
4-(1-methylpyrrolidin-3-yl)-1-(morpholin-2-ylmethyl)imidazolidin-2-one
CID 116980702
1-[1-(2-aminoethyl)piperidin-4-yl]-4-cyclobutylimidazolidin-2-one
CID 116979342
4-ethyl-1-piperidin-3-ylimidazolidin-2-one
CID 116979000
1-methyl-4-pyrrolidin-3-yl-1,4-diazepane
CID 23282605
4-(1-methylpyrrolidin-3-yl)imidazolidin-2-one
CID 116855881
4-(1-methylpyrrolidin-3-yl)-1-(piperidin-2-ylmethyl)imidazolidin-2-one
CID 116979152

Frequently Asked Questions

What is the IUPAC name of 4-(1-methylpiperidin-3-yl)-1-pyrrolidin-3-ylimidazolidin-2-one?
The IUPAC name of 4-(1-methylpiperidin-3-yl)-1-pyrrolidin-3-ylimidazolidin-2-one (CID 116978996) is 4-(1-methylpiperidin-3-yl)-1-pyrrolidin-3-ylimidazolidin-2-one.
What is the SMILES notation for 4-(1-methylpiperidin-3-yl)-1-pyrrolidin-3-ylimidazolidin-2-one?
The canonical SMILES for 4-(1-methylpiperidin-3-yl)-1-pyrrolidin-3-ylimidazolidin-2-one is CN1CCCC(C2CN(C3CCNC3)C(=O)N2)C1.
What is the InChIKey of 4-(1-methylpiperidin-3-yl)-1-pyrrolidin-3-ylimidazolidin-2-one?
The InChIKey is PCKSQIKPRJTRCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-16-6-2-3-10(8-16)12-9-17(13(18)15-12)11-4-5-14-7-11/h10-12,14H,2-9H2,1H3,(H,15,18).
What are the key properties of 4-(1-methylpiperidin-3-yl)-1-pyrrolidin-3-ylimidazolidin-2-one?
4-(1-methylpiperidin-3-yl)-1-pyrrolidin-3-ylimidazolidin-2-one has a molecular weight of 252.36 g/mol, XLogP of 0.08, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylpiperidin-3-yl)-1-pyrrolidin-3-ylimidazolidin-2-one is sourced from PubChem (CID 116978996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).