3-piperidin-4-yl-1H-imidazol-2-one;hydrochloride

C8H14ClN3O — CID 68965351

IUPAC3-piperidin-4-yl-1H-imidazol-2-one;hydrochloride
SMILESCl.O=c1[nH]ccn1C1CCNCC1
InChIInChI=1S/C8H13N3O.ClH/c12-8-10-5-6-11(8)7-1-3-9-4-2-7;/h5-7,9H,1-4H2,(H,10,12);1H
InChIKeyMWBCICNNADRJTA-UHFFFAOYSA-N
MW203.67 g/mol
LogP0.52
Rot. Bonds1

About 3-piperidin-4-yl-1H-imidazol-2-one;hydrochloride

3-piperidin-4-yl-1H-imidazol-2-one;hydrochloride (PubChem CID 68965351) has the molecular formula C8H14ClN3O and a molecular weight of 203.67 g/mol. Its IUPAC name is 3-piperidin-4-yl-1H-imidazol-2-one;hydrochloride.

Molecular Properties

Compound Name3-piperidin-4-yl-1H-imidazol-2-one;hydrochloride
PubChem CID68965351
Molecular FormulaC8H14ClN3O
Molecular Weight203.67 g/mol
Exact Mass203.08
IUPAC Name3-piperidin-4-yl-1H-imidazol-2-one;hydrochloride
SMILESCl.O=c1[nH]ccn1C1CCNCC1
InChIInChI=1S/C8H13N3O.ClH/c12-8-10-5-6-11(8)7-1-3-9-4-2-7;/h5-7,9H,1-4H2,(H,10,12);1H
InChIKeyMWBCICNNADRJTA-UHFFFAOYSA-N
XLogP0.52
TPSA49.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.67
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-piperidin-4-yl-1H-imidazol-2-one;hydrochloride?
The IUPAC name of 3-piperidin-4-yl-1H-imidazol-2-one;hydrochloride (CID 68965351) is 3-piperidin-4-yl-1H-imidazol-2-one;hydrochloride.
What is the SMILES notation for 3-piperidin-4-yl-1H-imidazol-2-one;hydrochloride?
The canonical SMILES for 3-piperidin-4-yl-1H-imidazol-2-one;hydrochloride is Cl.O=c1[nH]ccn1C1CCNCC1.
What is the InChIKey of 3-piperidin-4-yl-1H-imidazol-2-one;hydrochloride?
The InChIKey is MWBCICNNADRJTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O.ClH/c12-8-10-5-6-11(8)7-1-3-9-4-2-7;/h5-7,9H,1-4H2,(H,10,12);1H.
What are the key properties of 3-piperidin-4-yl-1H-imidazol-2-one;hydrochloride?
3-piperidin-4-yl-1H-imidazol-2-one;hydrochloride has a molecular weight of 203.67 g/mol, XLogP of 0.52, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-4-yl-1H-imidazol-2-one;hydrochloride is sourced from PubChem (CID 68965351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).