N-[4-[4-(1-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)piperidin-1-yl]butyl]-3-[4-(trifluoromethyl)phenyl]benzamide

C34H39F3N2O2 — CID 44532782

IUPACN-[4-[4-(1-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)piperidin-1-yl]butyl]-3-[4-(trifluoromethyl)phenyl]benzamide
SMILESCOc1c(C2CCN(CCCCNC(=O)c3cccc(-c4ccc(C(F)(F)F)cc4)c3)CC2)ccc2c1CCCC2
InChIInChI=1S/C34H39F3N2O2/c1-41-32-30-10-3-2-7-25(30)13-16-31(32)26-17-21-39(22-18-26)20-5-4-19-38-33(40)28-9-6-8-27(23-28)24-11-14-29(15-12-24)34(35,36)37/h6,8-9,11-16,23,26H,2-5,7,10,17-22H2,1H3,(H,38,40)
InChIKeyFTUFWOXJJZODGK-UHFFFAOYSA-N
MW564.69 g/mol
LogP7.65
Rot. Bonds9

About N-[4-[4-(1-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)piperidin-1-yl]butyl]-3-[4-(trifluoromethyl)phenyl]benzamide

N-[4-[4-(1-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)piperidin-1-yl]butyl]-3-[4-(trifluoromethyl)phenyl]benzamide (PubChem CID 44532782) has the molecular formula C34H39F3N2O2 and a molecular weight of 564.69 g/mol. Its IUPAC name is N-[4-[4-(1-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)piperidin-1-yl]butyl]-3-[4-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound NameN-[4-[4-(1-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)piperidin-1-yl]butyl]-3-[4-(trifluoromethyl)phenyl]benzamide
PubChem CID44532782
Molecular FormulaC34H39F3N2O2
Molecular Weight564.69 g/mol
Exact Mass564.30
IUPAC NameN-[4-[4-(1-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)piperidin-1-yl]butyl]-3-[4-(trifluoromethyl)phenyl]benzamide
SMILESCOc1c(C2CCN(CCCCNC(=O)c3cccc(-c4ccc(C(F)(F)F)cc4)c3)CC2)ccc2c1CCCC2
InChIInChI=1S/C34H39F3N2O2/c1-41-32-30-10-3-2-7-25(30)13-16-31(32)26-17-21-39(22-18-26)20-5-4-19-38-33(40)28-9-6-8-27(23-28)24-11-14-29(15-12-24)34(35,36)37/h6,8-9,11-16,23,26H,2-5,7,10,17-22H2,1H3,(H,38,40)
InChIKeyFTUFWOXJJZODGK-UHFFFAOYSA-N
XLogP7.65
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.69
LogP ≤ 57.65
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

N-[4-[4-[1-(pyridin-4-ylmethoxy)-5,6,7,8-tetrahydronaphthalen-2-yl]piperidin-1-yl]butyl]-4-[4-(trifluoromethyl)phenyl]benzamide
CID 44532820
6-(4-methanimidoylphenyl)-N-[4-[4-(1-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)piperidin-1-yl]butyl]pyridine-3-carboxamide
CID 142849823
N-[4-[4-(1-methylindol-3-yl)piperidin-1-yl]butyl]-4-[4-(trifluoromethyl)phenyl]benzamide
CID 10280183
N-[4-[4-[4-ethyl-2-(2-hydroxyethoxy)phenyl]piperidin-1-yl]butyl]-4-[4-(trifluoromethyl)phenyl]benzamide;hydrochloride
CID 44532847
[4-[4-[4-(1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)piperidin-1-yl]butylcarbamoyl]phenyl]boronic acid
CID 142849840
N-(2-chloro-3-pyridinyl)-N-[4-[4-(1-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)piperidin-1-yl]butyl]benzamide
CID 87914884
N-[4-[4-(2-ethoxy-4-methylanilino)piperidin-1-yl]butyl]-4-[4-(trifluoromethyl)phenyl]benzamide
CID 68516334
2-(4-cyanophenyl)-N-[4-[4-[1-(2-hydroxyethoxy)-5,6,7,8-tetrahydronaphthalen-2-yl]piperidin-1-yl]butyl]-4-methyl-1,3-oxazole-5-carboxamide
CID 58657930
3-(4-methylphenyl)-N-[1-[2-[[3-(trifluoromethyl)benzoyl]amino]ethyl]piperidin-4-yl]-8,9-dihydro-7H-benzo[7]annulene-6-carboxamide;2,2,2-trifluoroacetic acid
CID 44536964
N-[2-(cyclopropylmethylamino)-2-oxoethyl]-3-[4-(trifluoromethyl)phenyl]benzamide
CID 134801187
3-methoxy-N-[5-(4-methylpiperazin-1-yl)pentyl]benzamide
CID 110441580
1-[3-[[3-(4-fluorophenyl)benzoyl]amino]propyl]piperidine-3-carboxamide
CID 118780803

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(1-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)piperidin-1-yl]butyl]-3-[4-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of N-[4-[4-(1-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)piperidin-1-yl]butyl]-3-[4-(trifluoromethyl)phenyl]benzamide (CID 44532782) is N-[4-[4-(1-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)piperidin-1-yl]butyl]-3-[4-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for N-[4-[4-(1-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)piperidin-1-yl]butyl]-3-[4-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for N-[4-[4-(1-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)piperidin-1-yl]butyl]-3-[4-(trifluoromethyl)phenyl]benzamide is COc1c(C2CCN(CCCCNC(=O)c3cccc(-c4ccc(C(F)(F)F)cc4)c3)CC2)ccc2c1CCCC2.
What is the InChIKey of N-[4-[4-(1-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)piperidin-1-yl]butyl]-3-[4-(trifluoromethyl)phenyl]benzamide?
The InChIKey is FTUFWOXJJZODGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H39F3N2O2/c1-41-32-30-10-3-2-7-25(30)13-16-31(32)26-17-21-39(22-18-26)20-5-4-19-38-33(40)28-9-6-8-27(23-28)24-11-14-29(15-12-24)34(35,36)37/h6,8-9,11-16,23,26H,2-5,7,10,17-22H2,1H3,(H,38,40).
What are the key properties of N-[4-[4-(1-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)piperidin-1-yl]butyl]-3-[4-(trifluoromethyl)phenyl]benzamide?
N-[4-[4-(1-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)piperidin-1-yl]butyl]-3-[4-(trifluoromethyl)phenyl]benzamide has a molecular weight of 564.69 g/mol, XLogP of 7.65, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(1-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)piperidin-1-yl]butyl]-3-[4-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 44532782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).