3-(1H-imidazol-5-yl)-1-piperidin-1-ylpropan-1-one

C11H17N3O — CID 110697826

IUPAC3-(1H-imidazol-5-yl)-1-piperidin-1-ylpropan-1-one
SMILESO=C(CCc1cnc[nH]1)N1CCCCC1
InChIInChI=1S/C11H17N3O/c15-11(14-6-2-1-3-7-14)5-4-10-8-12-9-13-10/h8-9H,1-7H2,(H,12,13)
InChIKeyWZTBJXRKXVKPIC-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.35
Rot. Bonds3

About 3-(1H-imidazol-5-yl)-1-piperidin-1-ylpropan-1-one

3-(1H-imidazol-5-yl)-1-piperidin-1-ylpropan-1-one (PubChem CID 110697826) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 3-(1H-imidazol-5-yl)-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-(1H-imidazol-5-yl)-1-piperidin-1-ylpropan-1-one
PubChem CID110697826
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name3-(1H-imidazol-5-yl)-1-piperidin-1-ylpropan-1-one
SMILESO=C(CCc1cnc[nH]1)N1CCCCC1
InChIInChI=1S/C11H17N3O/c15-11(14-6-2-1-3-7-14)5-4-10-8-12-9-13-10/h8-9H,1-7H2,(H,12,13)
InChIKeyWZTBJXRKXVKPIC-UHFFFAOYSA-N
XLogP1.35
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Protirelin
CID 638678
(alphaS)-alpha-Amino-1H-imidazole-5-propanal
CID 152657
Taltirelin
CID 114750
GT-2016
CID 9839975
Cyclo(his-pro)
CID 449094
Carcinine
CID 2574
Histidylglycine
CID 101179
His-Gly zwitterion
CID 7009645
Histidyl-proline diketopiperazine
CID 65137
Azetirelin
CID 65841
BAY-o-6997
CID 775
5-Oxoprolylhistidylprolinamide
CID 32281

Frequently Asked Questions

What is the IUPAC name of 3-(1H-imidazol-5-yl)-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 3-(1H-imidazol-5-yl)-1-piperidin-1-ylpropan-1-one (CID 110697826) is 3-(1H-imidazol-5-yl)-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 3-(1H-imidazol-5-yl)-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 3-(1H-imidazol-5-yl)-1-piperidin-1-ylpropan-1-one is O=C(CCc1cnc[nH]1)N1CCCCC1.
What is the InChIKey of 3-(1H-imidazol-5-yl)-1-piperidin-1-ylpropan-1-one?
The InChIKey is WZTBJXRKXVKPIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c15-11(14-6-2-1-3-7-14)5-4-10-8-12-9-13-10/h8-9H,1-7H2,(H,12,13).
What are the key properties of 3-(1H-imidazol-5-yl)-1-piperidin-1-ylpropan-1-one?
3-(1H-imidazol-5-yl)-1-piperidin-1-ylpropan-1-one has a molecular weight of 207.28 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-imidazol-5-yl)-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 110697826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).