1-methyl-3-piperidin-3-ylimidazolidin-2-one;trihydrochloride

C9H20Cl3N3O — CID 175684354

IUPAC1-methyl-3-piperidin-3-ylimidazolidin-2-one;trihydrochloride
SMILESCN1CCN(C2CCCNC2)C1=O.Cl.Cl.Cl
InChIInChI=1S/C9H17N3O.3ClH/c1-11-5-6-12(9(11)13)8-3-2-4-10-7-8;;;/h8,10H,2-7H2,1H3;3*1H
InChIKeyLWHXREZGQPGGRQ-UHFFFAOYSA-N
MW292.64 g/mol
LogP1.37
Rot. Bonds1

About 1-methyl-3-piperidin-3-ylimidazolidin-2-one;trihydrochloride

1-methyl-3-piperidin-3-ylimidazolidin-2-one;trihydrochloride (PubChem CID 175684354) has the molecular formula C9H20Cl3N3O and a molecular weight of 292.64 g/mol. Its IUPAC name is 1-methyl-3-piperidin-3-ylimidazolidin-2-one;trihydrochloride.

Molecular Properties

Compound Name1-methyl-3-piperidin-3-ylimidazolidin-2-one;trihydrochloride
PubChem CID175684354
Molecular FormulaC9H20Cl3N3O
Molecular Weight292.64 g/mol
Exact Mass291.07
IUPAC Name1-methyl-3-piperidin-3-ylimidazolidin-2-one;trihydrochloride
SMILESCN1CCN(C2CCCNC2)C1=O.Cl.Cl.Cl
InChIInChI=1S/C9H17N3O.3ClH/c1-11-5-6-12(9(11)13)8-3-2-4-10-7-8;;;/h8,10H,2-7H2,1H3;3*1H
InChIKeyLWHXREZGQPGGRQ-UHFFFAOYSA-N
XLogP1.37
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.64
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-3-[(3R)-piperidin-3-yl]-1,3-diazinan-2-one;hydrochloride
CID 118115291
1-methyl-3-[(3S)-pyrrolidin-3-yl]imidazolidin-2-one
CID 96631898
1-cyclopropyl-3-piperidin-3-ylimidazolidin-2-one;hydrochloride
CID 118115296
1-[(3R)-piperidin-3-yl]-3-propan-2-yl-1,3-diazinan-2-one
CID 125041151
1-[(3R)-piperidin-3-yl]-1,3-diazinan-2-one;hydrochloride
CID 162422983
1-(1-phenylethyl)-3-[(3S)-piperidin-3-yl]imidazolidin-2-one
CID 138622014
3-piperidin-3-yl-1,3-oxazolidin-2-one;hydrochloride
CID 167727849
3,3-dimethyl-1-[(3R)-piperidin-3-yl]azetidin-2-one
CID 129450905
4-ethyl-3-methyl-1-piperidin-3-ylimidazolidin-2-one
CID 116981743
1-piperidin-3-yl-1,3-diazinane-2,4-dione
CID 75607085
1-methyl-3-piperidin-3-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d]imidazol-2-one
CID 166452879
1-(3-chlorophenyl)-3-[(3R)-piperidin-3-yl]imidazolidin-2-one
CID 118115135

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-piperidin-3-ylimidazolidin-2-one;trihydrochloride?
The IUPAC name of 1-methyl-3-piperidin-3-ylimidazolidin-2-one;trihydrochloride (CID 175684354) is 1-methyl-3-piperidin-3-ylimidazolidin-2-one;trihydrochloride.
What is the SMILES notation for 1-methyl-3-piperidin-3-ylimidazolidin-2-one;trihydrochloride?
The canonical SMILES for 1-methyl-3-piperidin-3-ylimidazolidin-2-one;trihydrochloride is CN1CCN(C2CCCNC2)C1=O.Cl.Cl.Cl.
What is the InChIKey of 1-methyl-3-piperidin-3-ylimidazolidin-2-one;trihydrochloride?
The InChIKey is LWHXREZGQPGGRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O.3ClH/c1-11-5-6-12(9(11)13)8-3-2-4-10-7-8;;;/h8,10H,2-7H2,1H3;3*1H.
What are the key properties of 1-methyl-3-piperidin-3-ylimidazolidin-2-one;trihydrochloride?
1-methyl-3-piperidin-3-ylimidazolidin-2-one;trihydrochloride has a molecular weight of 292.64 g/mol, XLogP of 1.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-piperidin-3-ylimidazolidin-2-one;trihydrochloride is sourced from PubChem (CID 175684354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).