3-cyclohexyl-1-[4-(1H-imidazol-5-yl)piperidin-1-yl]propan-1-one

C17H27N3O — CID 15233292

IUPAC3-cyclohexyl-1-[4-(1H-imidazol-5-yl)piperidin-1-yl]propan-1-one
SMILESO=C(CCC1CCCCC1)N1CCC(c2cnc[nH]2)CC1
InChIInChI=1S/C17H27N3O/c21-17(7-6-14-4-2-1-3-5-14)20-10-8-15(9-11-20)16-12-18-13-19-16/h12-15H,1-11H2,(H,18,19)
InChIKeyHEEDMMBEBQVQSK-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.48
Rot. Bonds4

About 3-cyclohexyl-1-[4-(1H-imidazol-5-yl)piperidin-1-yl]propan-1-one

3-cyclohexyl-1-[4-(1H-imidazol-5-yl)piperidin-1-yl]propan-1-one (PubChem CID 15233292) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 3-cyclohexyl-1-[4-(1H-imidazol-5-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-cyclohexyl-1-[4-(1H-imidazol-5-yl)piperidin-1-yl]propan-1-one
PubChem CID15233292
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name3-cyclohexyl-1-[4-(1H-imidazol-5-yl)piperidin-1-yl]propan-1-one
SMILESO=C(CCC1CCCCC1)N1CCC(c2cnc[nH]2)CC1
InChIInChI=1S/C17H27N3O/c21-17(7-6-14-4-2-1-3-5-14)20-10-8-15(9-11-20)16-12-18-13-19-16/h12-15H,1-11H2,(H,18,19)
InChIKeyHEEDMMBEBQVQSK-UHFFFAOYSA-N
XLogP3.48
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-[4-(1H-imidazol-5-yl)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-cyclohexyl-1-[4-(1H-imidazol-5-yl)piperidin-1-yl]propan-1-one (CID 15233292) is 3-cyclohexyl-1-[4-(1H-imidazol-5-yl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-cyclohexyl-1-[4-(1H-imidazol-5-yl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-cyclohexyl-1-[4-(1H-imidazol-5-yl)piperidin-1-yl]propan-1-one is O=C(CCC1CCCCC1)N1CCC(c2cnc[nH]2)CC1.
What is the InChIKey of 3-cyclohexyl-1-[4-(1H-imidazol-5-yl)piperidin-1-yl]propan-1-one?
The InChIKey is HEEDMMBEBQVQSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c21-17(7-6-14-4-2-1-3-5-14)20-10-8-15(9-11-20)16-12-18-13-19-16/h12-15H,1-11H2,(H,18,19).
What are the key properties of 3-cyclohexyl-1-[4-(1H-imidazol-5-yl)piperidin-1-yl]propan-1-one?
3-cyclohexyl-1-[4-(1H-imidazol-5-yl)piperidin-1-yl]propan-1-one has a molecular weight of 289.42 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-[4-(1H-imidazol-5-yl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 15233292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).