[(1R)-cyclohex-3-en-1-yl]-[(3R)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]methanone

C18H27N3O — CID 95336356

IUPAC[(1R)-cyclohex-3-en-1-yl]-[(3R)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]methanone
SMILESCC(C)c1nccn1[C@@H]1CCCN(C(=O)[C@H]2CC=CCC2)C1
InChIInChI=1S/C18H27N3O/c1-14(2)17-19-10-12-21(17)16-9-6-11-20(13-16)18(22)15-7-4-3-5-8-15/h3-4,10,12,14-16H,5-9,11,13H2,1-2H3/t15-,16+/m0/s1
InChIKeyWDPRXEOEQCESBJ-JKSUJKDBSA-N
MW301.43 g/mol
LogP3.53
Rot. Bonds3

About [(1R)-cyclohex-3-en-1-yl]-[(3R)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]methanone

[(1R)-cyclohex-3-en-1-yl]-[(3R)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]methanone (PubChem CID 95336356) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is [(1R)-cyclohex-3-en-1-yl]-[(3R)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[(1R)-cyclohex-3-en-1-yl]-[(3R)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]methanone
PubChem CID95336356
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC Name[(1R)-cyclohex-3-en-1-yl]-[(3R)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]methanone
SMILESCC(C)c1nccn1[C@@H]1CCCN(C(=O)[C@H]2CC=CCC2)C1
InChIInChI=1S/C18H27N3O/c1-14(2)17-19-10-12-21(17)16-9-6-11-20(13-16)18(22)15-7-4-3-5-8-15/h3-4,10,12,14-16H,5-9,11,13H2,1-2H3/t15-,16+/m0/s1
InChIKeyWDPRXEOEQCESBJ-JKSUJKDBSA-N
XLogP3.53
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[(2R)-oxolan-2-yl]-[(3R)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]methanone
CID 95349495
[(3S)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]-[(2S)-1-propylpyrrolidin-2-yl]methanone
CID 95353974
[(1R)-cyclohex-3-en-1-yl]-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]methanone
CID 95159169
[(3R)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]-quinoxalin-2-ylmethanone
CID 95343896
(2R)-2-morpholin-4-yl-1-[(3R)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]propan-1-one
CID 95337848
2H-benzotriazol-5-yl-[(3R)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]methanone
CID 95343023
2H-benzotriazol-5-yl-[(3S)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]methanone
CID 95343024
N-[(2S)-2-cyclopropyl-1-oxo-1-[(3S)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]propan-2-yl]acetamide
CID 95343954
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3S)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]ethanone
CID 95736318
[(1R)-cyclohex-3-en-1-yl]-[(3S)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]methanone
CID 95736942
1-[(3R)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]-2-(tetrazol-1-yl)ethanone
CID 95606682
2-methyl-6-[(3S)-3-(2-propan-2-ylimidazol-1-yl)piperidine-1-carbonyl]pyridazin-3-one
CID 95736313

Frequently Asked Questions

What is the IUPAC name of [(1R)-cyclohex-3-en-1-yl]-[(3R)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]methanone?
The IUPAC name of [(1R)-cyclohex-3-en-1-yl]-[(3R)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]methanone (CID 95336356) is [(1R)-cyclohex-3-en-1-yl]-[(3R)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [(1R)-cyclohex-3-en-1-yl]-[(3R)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]methanone?
The canonical SMILES for [(1R)-cyclohex-3-en-1-yl]-[(3R)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]methanone is CC(C)c1nccn1[C@@H]1CCCN(C(=O)[C@H]2CC=CCC2)C1.
What is the InChIKey of [(1R)-cyclohex-3-en-1-yl]-[(3R)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]methanone?
The InChIKey is WDPRXEOEQCESBJ-JKSUJKDBSA-N. The full InChI is InChI=1S/C18H27N3O/c1-14(2)17-19-10-12-21(17)16-9-6-11-20(13-16)18(22)15-7-4-3-5-8-15/h3-4,10,12,14-16H,5-9,11,13H2,1-2H3/t15-,16+/m0/s1.
What are the key properties of [(1R)-cyclohex-3-en-1-yl]-[(3R)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]methanone?
[(1R)-cyclohex-3-en-1-yl]-[(3R)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]methanone has a molecular weight of 301.43 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-cyclohex-3-en-1-yl]-[(3R)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 95336356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).