N-[1-(4-piperidin-1-ylphenyl)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide

C26H34N2O2 — CID 133210391

IUPACN-[1-(4-piperidin-1-ylphenyl)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
SMILESCC(Oc1ccc2c(c1)CCCC2)C(=O)NC(C)c1ccc(N2CCCCC2)cc1
InChIInChI=1S/C26H34N2O2/c1-19(21-10-13-24(14-11-21)28-16-6-3-7-17-28)27-26(29)20(2)30-25-15-12-22-8-4-5-9-23(22)18-25/h10-15,18-20H,3-9,16-17H2,1-2H3,(H,27,29)
InChIKeyVASJVZNXTWZASI-UHFFFAOYSA-N
MW406.57 g/mol
LogP5.20
Rot. Bonds6

About N-[1-(4-piperidin-1-ylphenyl)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide

N-[1-(4-piperidin-1-ylphenyl)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide (PubChem CID 133210391) has the molecular formula C26H34N2O2 and a molecular weight of 406.57 g/mol. Its IUPAC name is N-[1-(4-piperidin-1-ylphenyl)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide.

Molecular Properties

Compound NameN-[1-(4-piperidin-1-ylphenyl)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
PubChem CID133210391
Molecular FormulaC26H34N2O2
Molecular Weight406.57 g/mol
Exact Mass406.26
IUPAC NameN-[1-(4-piperidin-1-ylphenyl)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
SMILESCC(Oc1ccc2c(c1)CCCC2)C(=O)NC(C)c1ccc(N2CCCCC2)cc1
InChIInChI=1S/C26H34N2O2/c1-19(21-10-13-24(14-11-21)28-16-6-3-7-17-28)27-26(29)20(2)30-25-15-12-22-8-4-5-9-23(22)18-25/h10-15,18-20H,3-9,16-17H2,1-2H3,(H,27,29)
InChIKeyVASJVZNXTWZASI-UHFFFAOYSA-N
XLogP5.20
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.57
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[1-(4-methylphenyl)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 133187740
2-(4-fluorophenoxy)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide
CID 133190649
2-(4-chloro-3,5-dimethylphenoxy)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide
CID 133190650
N-(2,4-dimethylpentan-3-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 133185841
(2R)-N-[(4-morpholin-4-ylphenyl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 100717488
2-(4-methoxyphenoxy)-N-[1-(4-morpholin-4-ylphenyl)ethyl]propanamide
CID 48664298
(2R)-2-(3,4-dimethylphenoxy)-N-[(1S)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]propanamide
CID 125043996
N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 133200328
(2R)-N-[(1S)-1-(4-morpholin-4-ylphenyl)ethyl]-2-phenoxypropanamide
CID 95705953
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-(3-methylphenoxy)propanamide
CID 133188915
(2R)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 100753046
(2R)-N-[(2S)-pentan-2-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 100558239

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-piperidin-1-ylphenyl)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide?
The IUPAC name of N-[1-(4-piperidin-1-ylphenyl)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide (CID 133210391) is N-[1-(4-piperidin-1-ylphenyl)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide.
What is the SMILES notation for N-[1-(4-piperidin-1-ylphenyl)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide?
The canonical SMILES for N-[1-(4-piperidin-1-ylphenyl)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide is CC(Oc1ccc2c(c1)CCCC2)C(=O)NC(C)c1ccc(N2CCCCC2)cc1.
What is the InChIKey of N-[1-(4-piperidin-1-ylphenyl)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide?
The InChIKey is VASJVZNXTWZASI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O2/c1-19(21-10-13-24(14-11-21)28-16-6-3-7-17-28)27-26(29)20(2)30-25-15-12-22-8-4-5-9-23(22)18-25/h10-15,18-20H,3-9,16-17H2,1-2H3,(H,27,29).
What are the key properties of N-[1-(4-piperidin-1-ylphenyl)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide?
N-[1-(4-piperidin-1-ylphenyl)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide has a molecular weight of 406.57 g/mol, XLogP of 5.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-piperidin-1-ylphenyl)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide is sourced from PubChem (CID 133210391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).