3-cyclohexyl-1-[(2R)-2-(triazol-1-ylmethyl)piperidin-1-yl]propan-1-one

C17H28N4O — CID 97332587

IUPAC3-cyclohexyl-1-[(2R)-2-(triazol-1-ylmethyl)piperidin-1-yl]propan-1-one
SMILESO=C(CCC1CCCCC1)N1CCCC[C@@H]1Cn1ccnn1
InChIInChI=1S/C17H28N4O/c22-17(10-9-15-6-2-1-3-7-15)21-12-5-4-8-16(21)14-20-13-11-18-19-20/h11,13,15-16H,1-10,12,14H2/t16-/m1/s1
InChIKeyHOOFYQAHXAIEPW-MRXNPFEDSA-N
MW304.44 g/mol
LogP3.02
Rot. Bonds5

About 3-cyclohexyl-1-[(2R)-2-(triazol-1-ylmethyl)piperidin-1-yl]propan-1-one

3-cyclohexyl-1-[(2R)-2-(triazol-1-ylmethyl)piperidin-1-yl]propan-1-one (PubChem CID 97332587) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is 3-cyclohexyl-1-[(2R)-2-(triazol-1-ylmethyl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-cyclohexyl-1-[(2R)-2-(triazol-1-ylmethyl)piperidin-1-yl]propan-1-one
PubChem CID97332587
Molecular FormulaC17H28N4O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC Name3-cyclohexyl-1-[(2R)-2-(triazol-1-ylmethyl)piperidin-1-yl]propan-1-one
SMILESO=C(CCC1CCCCC1)N1CCCC[C@@H]1Cn1ccnn1
InChIInChI=1S/C17H28N4O/c22-17(10-9-15-6-2-1-3-7-15)21-12-5-4-8-16(21)14-20-13-11-18-19-20/h11,13,15-16H,1-10,12,14H2/t16-/m1/s1
InChIKeyHOOFYQAHXAIEPW-MRXNPFEDSA-N
XLogP3.02
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-[(2R)-2-(triazol-1-ylmethyl)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-cyclohexyl-1-[(2R)-2-(triazol-1-ylmethyl)piperidin-1-yl]propan-1-one (CID 97332587) is 3-cyclohexyl-1-[(2R)-2-(triazol-1-ylmethyl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-cyclohexyl-1-[(2R)-2-(triazol-1-ylmethyl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-cyclohexyl-1-[(2R)-2-(triazol-1-ylmethyl)piperidin-1-yl]propan-1-one is O=C(CCC1CCCCC1)N1CCCC[C@@H]1Cn1ccnn1.
What is the InChIKey of 3-cyclohexyl-1-[(2R)-2-(triazol-1-ylmethyl)piperidin-1-yl]propan-1-one?
The InChIKey is HOOFYQAHXAIEPW-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H28N4O/c22-17(10-9-15-6-2-1-3-7-15)21-12-5-4-8-16(21)14-20-13-11-18-19-20/h11,13,15-16H,1-10,12,14H2/t16-/m1/s1.
What are the key properties of 3-cyclohexyl-1-[(2R)-2-(triazol-1-ylmethyl)piperidin-1-yl]propan-1-one?
3-cyclohexyl-1-[(2R)-2-(triazol-1-ylmethyl)piperidin-1-yl]propan-1-one has a molecular weight of 304.44 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-[(2R)-2-(triazol-1-ylmethyl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 97332587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).