[(1S)-cyclohex-3-en-1-yl]-[(2R)-2-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone

C20H25N3O — CID 94571163

IUPAC[(1S)-cyclohex-3-en-1-yl]-[(2R)-2-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone
SMILESCn1c([C@H]2CCCCN2C(=O)[C@@H]2CC=CCC2)nc2ccccc21
InChIInChI=1S/C20H25N3O/c1-22-17-12-6-5-11-16(17)21-19(22)18-13-7-8-14-23(18)20(24)15-9-3-2-4-10-15/h2-3,5-6,11-12,15,18H,4,7-10,13-14H2,1H3/t15-,18-/m1/s1
InChIKeyUOHKMYXZEVVFRK-CRAIPNDOSA-N
MW323.44 g/mol
LogP3.98
Rot. Bonds2

About [(1S)-cyclohex-3-en-1-yl]-[(2R)-2-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone

[(1S)-cyclohex-3-en-1-yl]-[(2R)-2-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone (PubChem CID 94571163) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is [(1S)-cyclohex-3-en-1-yl]-[(2R)-2-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[(1S)-cyclohex-3-en-1-yl]-[(2R)-2-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone
PubChem CID94571163
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name[(1S)-cyclohex-3-en-1-yl]-[(2R)-2-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone
SMILESCn1c([C@H]2CCCCN2C(=O)[C@@H]2CC=CCC2)nc2ccccc21
InChIInChI=1S/C20H25N3O/c1-22-17-12-6-5-11-16(17)21-19(22)18-13-7-8-14-23(18)20(24)15-9-3-2-4-10-15/h2-3,5-6,11-12,15,18H,4,7-10,13-14H2,1H3/t15-,18-/m1/s1
InChIKeyUOHKMYXZEVVFRK-CRAIPNDOSA-N
XLogP3.98
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.98
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

[(1S)-cyclohex-3-en-1-yl]-[(2S)-2-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone
CID 94571162
1-[(2S)-2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]propan-1-one
CID 42536555
furan-2-yl-[2-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone
CID 91822619
[(2R)-2-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
CID 94640308
(2S)-N-benzyl-2-(1-methylbenzimidazol-2-yl)piperidine-1-carboxamide
CID 51966220
1-[(2S)-2-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-2-[(2R)-oxolan-2-yl]ethanone
CID 94640388
[(1S,2R)-2-ethoxycyclopropyl]-[(2S)-2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]methanone
CID 124808785
[(2R)-2-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(4-propan-2-ylsulfonylphenyl)methanone
CID 52536369
1-methyl-2-[(2S)-1-methylsulfonylpiperidin-2-yl]benzimidazole
CID 94179592
(2S)-N-[(4-methoxyphenyl)methyl]-2-(1-methylbenzimidazol-2-yl)piperidine-1-carboxamide
CID 125123416
3-(2,5-difluorophenyl)-1-[2-(1-methylbenzimidazol-2-yl)piperidin-1-yl]propan-1-one
CID 71886897
2-[2-methoxy-4-[(2S)-2-(1-methylbenzimidazol-2-yl)piperidine-1-carbonyl]phenoxy]acetamide
CID 99212282

Frequently Asked Questions

What is the IUPAC name of [(1S)-cyclohex-3-en-1-yl]-[(2R)-2-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of [(1S)-cyclohex-3-en-1-yl]-[(2R)-2-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone (CID 94571163) is [(1S)-cyclohex-3-en-1-yl]-[(2R)-2-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [(1S)-cyclohex-3-en-1-yl]-[(2R)-2-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for [(1S)-cyclohex-3-en-1-yl]-[(2R)-2-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone is Cn1c([C@H]2CCCCN2C(=O)[C@@H]2CC=CCC2)nc2ccccc21.
What is the InChIKey of [(1S)-cyclohex-3-en-1-yl]-[(2R)-2-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone?
The InChIKey is UOHKMYXZEVVFRK-CRAIPNDOSA-N. The full InChI is InChI=1S/C20H25N3O/c1-22-17-12-6-5-11-16(17)21-19(22)18-13-7-8-14-23(18)20(24)15-9-3-2-4-10-15/h2-3,5-6,11-12,15,18H,4,7-10,13-14H2,1H3/t15-,18-/m1/s1.
What are the key properties of [(1S)-cyclohex-3-en-1-yl]-[(2R)-2-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone?
[(1S)-cyclohex-3-en-1-yl]-[(2R)-2-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 323.44 g/mol, XLogP of 3.98, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-cyclohex-3-en-1-yl]-[(2R)-2-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 94571163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).