6-piperidin-4-yl-5,6-dihydropyrrolo[1,2-c]imidazol-7-one;dihydrochloride

C11H17Cl2N3O — CID 23084055

IUPAC6-piperidin-4-yl-5,6-dihydropyrrolo[1,2-c]imidazol-7-one;dihydrochloride
SMILESCl.Cl.O=C1c2cncn2CC1C1CCNCC1
InChIInChI=1S/C11H15N3O.2ClH/c15-11-9(8-1-3-12-4-2-8)6-14-7-13-5-10(11)14;;/h5,7-9,12H,1-4,6H2;2*1H
InChIKeyKRCWVPXWASQQIQ-UHFFFAOYSA-N
MW278.18 g/mol
LogP1.54
Rot. Bonds1

About 6-piperidin-4-yl-5,6-dihydropyrrolo[1,2-c]imidazol-7-one;dihydrochloride

6-piperidin-4-yl-5,6-dihydropyrrolo[1,2-c]imidazol-7-one;dihydrochloride (PubChem CID 23084055) has the molecular formula C11H17Cl2N3O and a molecular weight of 278.18 g/mol. Its IUPAC name is 6-piperidin-4-yl-5,6-dihydropyrrolo[1,2-c]imidazol-7-one;dihydrochloride.

Molecular Properties

Compound Name6-piperidin-4-yl-5,6-dihydropyrrolo[1,2-c]imidazol-7-one;dihydrochloride
PubChem CID23084055
Molecular FormulaC11H17Cl2N3O
Molecular Weight278.18 g/mol
Exact Mass277.07
IUPAC Name6-piperidin-4-yl-5,6-dihydropyrrolo[1,2-c]imidazol-7-one;dihydrochloride
SMILESCl.Cl.O=C1c2cncn2CC1C1CCNCC1
InChIInChI=1S/C11H15N3O.2ClH/c15-11-9(8-1-3-12-4-2-8)6-14-7-13-5-10(11)14;;/h5,7-9,12H,1-4,6H2;2*1H
InChIKeyKRCWVPXWASQQIQ-UHFFFAOYSA-N
XLogP1.54
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.18
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-piperidin-4-yl-5,6-dihydropyrrolo[1,2-c]imidazol-7-one;dihydrochloride?
The IUPAC name of 6-piperidin-4-yl-5,6-dihydropyrrolo[1,2-c]imidazol-7-one;dihydrochloride (CID 23084055) is 6-piperidin-4-yl-5,6-dihydropyrrolo[1,2-c]imidazol-7-one;dihydrochloride.
What is the SMILES notation for 6-piperidin-4-yl-5,6-dihydropyrrolo[1,2-c]imidazol-7-one;dihydrochloride?
The canonical SMILES for 6-piperidin-4-yl-5,6-dihydropyrrolo[1,2-c]imidazol-7-one;dihydrochloride is Cl.Cl.O=C1c2cncn2CC1C1CCNCC1.
What is the InChIKey of 6-piperidin-4-yl-5,6-dihydropyrrolo[1,2-c]imidazol-7-one;dihydrochloride?
The InChIKey is KRCWVPXWASQQIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O.2ClH/c15-11-9(8-1-3-12-4-2-8)6-14-7-13-5-10(11)14;;/h5,7-9,12H,1-4,6H2;2*1H.
What are the key properties of 6-piperidin-4-yl-5,6-dihydropyrrolo[1,2-c]imidazol-7-one;dihydrochloride?
6-piperidin-4-yl-5,6-dihydropyrrolo[1,2-c]imidazol-7-one;dihydrochloride has a molecular weight of 278.18 g/mol, XLogP of 1.54, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-piperidin-4-yl-5,6-dihydropyrrolo[1,2-c]imidazol-7-one;dihydrochloride is sourced from PubChem (CID 23084055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).