2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]acetamide

C26H39N3O2 — CID 50768066

IUPAC2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]acetamide
SMILESO=C(CC1CCN(C(=O)C2CCCCC2)CC1)NCCCN1CCc2ccccc2C1
InChIInChI=1S/C26H39N3O2/c30-25(27-14-6-15-28-16-13-22-7-4-5-10-24(22)20-28)19-21-11-17-29(18-12-21)26(31)23-8-2-1-3-9-23/h4-5,7,10,21,23H,1-3,6,8-9,11-20H2,(H,27,30)
InChIKeyDXSJQRCLVFJQIO-UHFFFAOYSA-N
MW425.62 g/mol
LogP3.76
Rot. Bonds7

About 2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]acetamide

2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]acetamide (PubChem CID 50768066) has the molecular formula C26H39N3O2 and a molecular weight of 425.62 g/mol. Its IUPAC name is 2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]acetamide.

Molecular Properties

Compound Name2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]acetamide
PubChem CID50768066
Molecular FormulaC26H39N3O2
Molecular Weight425.62 g/mol
Exact Mass425.30
IUPAC Name2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]acetamide
SMILESO=C(CC1CCN(C(=O)C2CCCCC2)CC1)NCCCN1CCc2ccccc2C1
InChIInChI=1S/C26H39N3O2/c30-25(27-14-6-15-28-16-13-22-7-4-5-10-24(22)20-28)19-21-11-17-29(18-12-21)26(31)23-8-2-1-3-9-23/h4-5,7,10,21,23H,1-3,6,8-9,11-20H2,(H,27,30)
InChIKeyDXSJQRCLVFJQIO-UHFFFAOYSA-N
XLogP3.76
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.62
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-(3-piperidin-1-ylpropyl)acetamide
CID 46295224
2-(cyclopropylmethylamino)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]acetamide;dihydrochloride
CID 119851340
N-[3-(1,3-dihydroisoindol-2-yl)propyl]-2-(1-ethylpiperidin-4-yl)acetamide
CID 72894922
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-4-pyrrolidin-1-ylpiperidine-1-carboxamide
CID 87005803
2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]acetamide
CID 50816974
2-amino-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]acetamide
CID 112708220
cyclohexyl-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-yl]methanone
CID 38382766
N-cyclopentyl-3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propylcarbamoylamino]propanamide
CID 86831325
1-(benzenesulfonyl)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]piperidine-3-carboxamide
CID 133167879
2-[1-(2-chlorobenzoyl)piperidin-4-yl]-N-[3-(4-cyclohexylpiperazin-1-yl)propyl]acetamide
CID 46295293
2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 46295211
2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-(3-propan-2-yloxypropyl)acetamide
CID 46295214

Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]acetamide?
The IUPAC name of 2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]acetamide (CID 50768066) is 2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]acetamide.
What is the SMILES notation for 2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]acetamide?
The canonical SMILES for 2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]acetamide is O=C(CC1CCN(C(=O)C2CCCCC2)CC1)NCCCN1CCc2ccccc2C1.
What is the InChIKey of 2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]acetamide?
The InChIKey is DXSJQRCLVFJQIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H39N3O2/c30-25(27-14-6-15-28-16-13-22-7-4-5-10-24(22)20-28)19-21-11-17-29(18-12-21)26(31)23-8-2-1-3-9-23/h4-5,7,10,21,23H,1-3,6,8-9,11-20H2,(H,27,30).
What are the key properties of 2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]acetamide?
2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]acetamide has a molecular weight of 425.62 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]acetamide is sourced from PubChem (CID 50768066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).