[(1R)-cyclohex-3-en-1-yl]-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]methanone

C15H21N3O — CID 95159169

IUPAC[(1R)-cyclohex-3-en-1-yl]-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]methanone
SMILESO=C([C@H]1CC=CCC1)N1CCC[C@H](n2cccn2)C1
InChIInChI=1S/C15H21N3O/c19-15(13-6-2-1-3-7-13)17-10-4-8-14(12-17)18-11-5-9-16-18/h1-2,5,9,11,13-14H,3-4,6-8,10,12H2/t13-,14-/m0/s1
InChIKeyVAEAMZIATHXFHX-KBPBESRZSA-N
MW259.35 g/mol
LogP2.40
Rot. Bonds2

About [(1R)-cyclohex-3-en-1-yl]-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]methanone

[(1R)-cyclohex-3-en-1-yl]-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]methanone (PubChem CID 95159169) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is [(1R)-cyclohex-3-en-1-yl]-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name[(1R)-cyclohex-3-en-1-yl]-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]methanone
PubChem CID95159169
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name[(1R)-cyclohex-3-en-1-yl]-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]methanone
SMILESO=C([C@H]1CC=CCC1)N1CCC[C@H](n2cccn2)C1
InChIInChI=1S/C15H21N3O/c19-15(13-6-2-1-3-7-13)17-10-4-8-14(12-17)18-11-5-9-16-18/h1-2,5,9,11,13-14H,3-4,6-8,10,12H2/t13-,14-/m0/s1
InChIKeyVAEAMZIATHXFHX-KBPBESRZSA-N
XLogP2.40
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.40
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

[(1R)-cyclohex-3-en-1-yl]-[(3R)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]methanone
CID 95336356
[(3R)-3-aminopiperidin-1-yl]-cyclohex-3-en-1-ylmethanone
CID 102983809
(4S)-1-(cyclopropylmethyl)-4-[(3S)-3-pyrazol-1-ylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 95158276
(4R)-1-(cyclopropylmethyl)-4-[(3R)-3-pyrazol-1-ylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 95158273
(4R)-1-phenyl-4-[(3R)-3-pyrazol-1-ylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 95158638
[(1R)-cyclohex-3-en-1-yl]-[(3S)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]methanone
CID 95736942
[(3R)-1-pyrazin-2-ylpiperidin-3-yl]-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]methanone
CID 95272185
(1-methylpiperidin-3-yl)-(3-pyrazol-1-ylazetidin-1-yl)methanone
CID 126900094
1-[(1R)-cyclohex-3-ene-1-carbonyl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid
CID 95888744
(1S)-N-(4-pyrazol-1-ylcyclohexyl)cyclohex-3-ene-1-carboxamide
CID 164632830
[(2S,3R)-2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl]-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone
CID 100840144
cyclohex-3-en-1-yl-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 62370931

Frequently Asked Questions

What is the IUPAC name of [(1R)-cyclohex-3-en-1-yl]-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]methanone?
The IUPAC name of [(1R)-cyclohex-3-en-1-yl]-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]methanone (CID 95159169) is [(1R)-cyclohex-3-en-1-yl]-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]methanone.
What is the SMILES notation for [(1R)-cyclohex-3-en-1-yl]-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]methanone?
The canonical SMILES for [(1R)-cyclohex-3-en-1-yl]-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]methanone is O=C([C@H]1CC=CCC1)N1CCC[C@H](n2cccn2)C1.
What is the InChIKey of [(1R)-cyclohex-3-en-1-yl]-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]methanone?
The InChIKey is VAEAMZIATHXFHX-KBPBESRZSA-N. The full InChI is InChI=1S/C15H21N3O/c19-15(13-6-2-1-3-7-13)17-10-4-8-14(12-17)18-11-5-9-16-18/h1-2,5,9,11,13-14H,3-4,6-8,10,12H2/t13-,14-/m0/s1.
What are the key properties of [(1R)-cyclohex-3-en-1-yl]-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]methanone?
[(1R)-cyclohex-3-en-1-yl]-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]methanone has a molecular weight of 259.35 g/mol, XLogP of 2.40, 2 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]-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]methanone is sourced from PubChem (CID 95159169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).