cyclohexyl-[(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]methanone

C17H27N3O — CID 97155574

IUPACcyclohexyl-[(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]methanone
SMILESCCn1ccnc1[C@H]1CCCN(C(=O)C2CCCCC2)C1
InChIInChI=1S/C17H27N3O/c1-2-19-12-10-18-16(19)15-9-6-11-20(13-15)17(21)14-7-4-3-5-8-14/h10,12,14-15H,2-9,11,13H2,1H3/t15-/m0/s1
InChIKeyUXABAWGYSHRCOZ-HNNXBMFYSA-N
MW289.42 g/mol
LogP3.19
Rot. Bonds3

About cyclohexyl-[(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]methanone

cyclohexyl-[(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]methanone (PubChem CID 97155574) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is cyclohexyl-[(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]methanone
PubChem CID97155574
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Namecyclohexyl-[(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]methanone
SMILESCCn1ccnc1[C@H]1CCCN(C(=O)C2CCCCC2)C1
InChIInChI=1S/C17H27N3O/c1-2-19-12-10-18-16(19)15-9-6-11-20(13-15)17(21)14-7-4-3-5-8-14/h10,12,14-15H,2-9,11,13H2,1H3/t15-/m0/s1
InChIKeyUXABAWGYSHRCOZ-HNNXBMFYSA-N
XLogP3.19
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of cyclohexyl-[(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]methanone (CID 97155574) is cyclohexyl-[(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for cyclohexyl-[(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for cyclohexyl-[(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]methanone is CCn1ccnc1[C@H]1CCCN(C(=O)C2CCCCC2)C1.
What is the InChIKey of cyclohexyl-[(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]methanone?
The InChIKey is UXABAWGYSHRCOZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-2-19-12-10-18-16(19)15-9-6-11-20(13-15)17(21)14-7-4-3-5-8-14/h10,12,14-15H,2-9,11,13H2,1H3/t15-/m0/s1.
What are the key properties of cyclohexyl-[(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]methanone?
cyclohexyl-[(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 289.42 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 97155574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).