[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone

C22H30N2O — CID 2903750

IUPAC[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
SMILESO=C(C1CCN(CC2CC=CCC2)CC1)N1CCc2ccccc2C1
InChIInChI=1S/C22H30N2O/c25-22(24-15-12-19-8-4-5-9-21(19)17-24)20-10-13-23(14-11-20)16-18-6-2-1-3-7-18/h1-2,4-5,8-9,18,20H,3,6-7,10-17H2
InChIKeyNKHWPZPXBYLZHZ-UHFFFAOYSA-N
MW338.50 g/mol
LogP3.64
Rot. Bonds3

About [1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone

[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone (PubChem CID 2903750) has the molecular formula C22H30N2O and a molecular weight of 338.50 g/mol. Its IUPAC name is [1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone.

Molecular Properties

Compound Name[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
PubChem CID2903750
Molecular FormulaC22H30N2O
Molecular Weight338.50 g/mol
Exact Mass338.24
IUPAC Name[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
SMILESO=C(C1CCN(CC2CC=CCC2)CC1)N1CCc2ccccc2C1
InChIInChI=1S/C22H30N2O/c25-22(24-15-12-19-8-4-5-9-21(19)17-24)20-10-13-23(14-11-20)16-18-6-2-1-3-7-18/h1-2,4-5,8-9,18,20H,3,6-7,10-17H2
InChIKeyNKHWPZPXBYLZHZ-UHFFFAOYSA-N
XLogP3.64
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.50
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone with MolForge

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Related Compounds

cyclohex-3-en-1-yl(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone
CID 162626054
1-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-yl]ethanone
CID 17127006
[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 3153510
cyclohexyl-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-yl]methanone
CID 38382766
1-[[(1S)-cyclohex-3-en-1-yl]methyl]piperidine-4-carboxamide
CID 678228
[4-[[(1R)-cyclohex-3-en-1-yl]methyl]piperazin-1-yl]-phenylmethanone
CID 1122466
[1-[(2,4-dichlorophenyl)methyl]piperidin-4-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 94062326
3,4-dihydro-1H-isoquinolin-2-yl-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]methanone;oxalic acid
CID 2903769
(3-aminocyclopentyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 66030477
4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-phenylpiperidine-1-carboxamide
CID 2594222
4-[[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-yl]methyl]-1H-pyrazole-5-carboxylic acid
CID 91775235
1-[2-[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
CID 110241769

Frequently Asked Questions

What is the IUPAC name of [1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The IUPAC name of [1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone (CID 2903750) is [1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone.
What is the SMILES notation for [1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The canonical SMILES for [1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone is O=C(C1CCN(CC2CC=CCC2)CC1)N1CCc2ccccc2C1.
What is the InChIKey of [1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The InChIKey is NKHWPZPXBYLZHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O/c25-22(24-15-12-19-8-4-5-9-21(19)17-24)20-10-13-23(14-11-20)16-18-6-2-1-3-7-18/h1-2,4-5,8-9,18,20H,3,6-7,10-17H2.
What are the key properties of [1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone?
[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone has a molecular weight of 338.50 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone is sourced from PubChem (CID 2903750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).