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

3-(1H-imidazol-5-ylmethylamino)-1-piperidin-1-ylpropan-1-one
CID 112688781
ethyl 1-[3-(1H-imidazol-5-yl)propanoyl]piperidine-3-carboxylate
CID 110697880
3-(1H-imidazol-5-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 110697892
3-(1H-imidazol-5-yl)propyl piperidine-1-carboxylate
CID 10522002
3-(1H-imidazol-5-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 110697885
3-(1H-imidazol-5-yl)-1-[4-(1H-indol-2-ylmethyl)piperazin-1-yl]propan-1-one
CID 166247184
1-(2-ethylazetidin-1-yl)-3-(1H-imidazol-5-yl)propan-1-one
CID 138999835
N-(3-oxo-3-piperidin-1-ylpropyl)-1H-imidazole-5-sulfonamide
CID 115627036
4-[2-(1H-imidazol-5-yl)acetyl]piperazine-1-carboxylic acid
CID 57226807
[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]-pyrrolidin-1-ylmethanone
CID 10828008
(2S)-3-(1H-imidazol-5-yl)-2-(piperidine-1-carbonylamino)propanoic acid
CID 61182505
5-(10-pyrrolidin-1-yldecyl)-1H-imidazole
CID 11231249

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).