1-methyl-3-[(3R)-piperidin-3-yl]imidazol-2-one;hydrochloride

C9H16ClN3O — CID 175591845

IUPAC1-methyl-3-[(3R)-piperidin-3-yl]imidazol-2-one;hydrochloride
SMILESCl.Cn1ccn([C@@H]2CCCNC2)c1=O
InChIInChI=1S/C9H15N3O.ClH/c1-11-5-6-12(9(11)13)8-3-2-4-10-7-8;/h5-6,8,10H,2-4,7H2,1H3;1H/t8-;/m1./s1
InChIKeyHHSSFZPYOOZIDY-DDWIOCJRSA-N
MW217.70 g/mol
LogP0.53
Rot. Bonds1

About 1-methyl-3-[(3R)-piperidin-3-yl]imidazol-2-one;hydrochloride

1-methyl-3-[(3R)-piperidin-3-yl]imidazol-2-one;hydrochloride (PubChem CID 175591845) has the molecular formula C9H16ClN3O and a molecular weight of 217.70 g/mol. Its IUPAC name is 1-methyl-3-[(3R)-piperidin-3-yl]imidazol-2-one;hydrochloride.

Molecular Properties

Compound Name1-methyl-3-[(3R)-piperidin-3-yl]imidazol-2-one;hydrochloride
PubChem CID175591845
Molecular FormulaC9H16ClN3O
Molecular Weight217.70 g/mol
Exact Mass217.10
IUPAC Name1-methyl-3-[(3R)-piperidin-3-yl]imidazol-2-one;hydrochloride
SMILESCl.Cn1ccn([C@@H]2CCCNC2)c1=O
InChIInChI=1S/C9H15N3O.ClH/c1-11-5-6-12(9(11)13)8-3-2-4-10-7-8;/h5-6,8,10H,2-4,7H2,1H3;1H/t8-;/m1./s1
InChIKeyHHSSFZPYOOZIDY-DDWIOCJRSA-N
XLogP0.53
TPSA38.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.70
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(3R)-piperidin-3-yl]imidazol-2-one;hydrochloride?
The IUPAC name of 1-methyl-3-[(3R)-piperidin-3-yl]imidazol-2-one;hydrochloride (CID 175591845) is 1-methyl-3-[(3R)-piperidin-3-yl]imidazol-2-one;hydrochloride.
What is the SMILES notation for 1-methyl-3-[(3R)-piperidin-3-yl]imidazol-2-one;hydrochloride?
The canonical SMILES for 1-methyl-3-[(3R)-piperidin-3-yl]imidazol-2-one;hydrochloride is Cl.Cn1ccn([C@@H]2CCCNC2)c1=O.
What is the InChIKey of 1-methyl-3-[(3R)-piperidin-3-yl]imidazol-2-one;hydrochloride?
The InChIKey is HHSSFZPYOOZIDY-DDWIOCJRSA-N. The full InChI is InChI=1S/C9H15N3O.ClH/c1-11-5-6-12(9(11)13)8-3-2-4-10-7-8;/h5-6,8,10H,2-4,7H2,1H3;1H/t8-;/m1./s1.
What are the key properties of 1-methyl-3-[(3R)-piperidin-3-yl]imidazol-2-one;hydrochloride?
1-methyl-3-[(3R)-piperidin-3-yl]imidazol-2-one;hydrochloride has a molecular weight of 217.70 g/mol, XLogP of 0.53, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(3R)-piperidin-3-yl]imidazol-2-one;hydrochloride is sourced from PubChem (CID 175591845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).