N-[4-[4-[1-(cyclopropylmethoxy)-5,6,7,8-tetrahydronaphthalen-2-yl]piperidin-1-yl]butyl]-2-[6-(trifluoromethyl)-3-pyridinyl]-1-benzofuran-5-carboxamide

C38H42F3N3O3 — CID 10283013

IUPACN-[4-[4-[1-(cyclopropylmethoxy)-5,6,7,8-tetrahydronaphthalen-2-yl]piperidin-1-yl]butyl]-2-[6-(trifluoromethyl)-3-pyridinyl]-1-benzofuran-5-carboxamide
SMILESO=C(NCCCCN1CCC(c2ccc3c(c2OCC2CC2)CCCC3)CC1)c1ccc2oc(-c3ccc(C(F)(F)F)nc3)cc2c1
InChIInChI=1S/C38H42F3N3O3/c39-38(40,41)35-14-11-29(23-43-35)34-22-30-21-28(10-13-33(30)47-34)37(45)42-17-3-4-18-44-19-15-27(16-20-44)32-12-9-26-5-1-2-6-31(26)36(32)46-24-25-7-8-25/h9-14,21-23,25,27H,1-8,15-20,24H2,(H,42,45)
InChIKeyMDJVNSDMOXBUIY-UHFFFAOYSA-N
MW645.77 g/mol
LogP8.57
Rot. Bonds11

About N-[4-[4-[1-(cyclopropylmethoxy)-5,6,7,8-tetrahydronaphthalen-2-yl]piperidin-1-yl]butyl]-2-[6-(trifluoromethyl)-3-pyridinyl]-1-benzofuran-5-carboxamide

N-[4-[4-[1-(cyclopropylmethoxy)-5,6,7,8-tetrahydronaphthalen-2-yl]piperidin-1-yl]butyl]-2-[6-(trifluoromethyl)-3-pyridinyl]-1-benzofuran-5-carboxamide (PubChem CID 10283013) has the molecular formula C38H42F3N3O3 and a molecular weight of 645.77 g/mol. Its IUPAC name is N-[4-[4-[1-(cyclopropylmethoxy)-5,6,7,8-tetrahydronaphthalen-2-yl]piperidin-1-yl]butyl]-2-[6-(trifluoromethyl)-3-pyridinyl]-1-benzofuran-5-carboxamide.

Molecular Properties

Compound NameN-[4-[4-[1-(cyclopropylmethoxy)-5,6,7,8-tetrahydronaphthalen-2-yl]piperidin-1-yl]butyl]-2-[6-(trifluoromethyl)-3-pyridinyl]-1-benzofuran-5-carboxamide
PubChem CID10283013
Molecular FormulaC38H42F3N3O3
Molecular Weight645.77 g/mol
Exact Mass645.32
IUPAC NameN-[4-[4-[1-(cyclopropylmethoxy)-5,6,7,8-tetrahydronaphthalen-2-yl]piperidin-1-yl]butyl]-2-[6-(trifluoromethyl)-3-pyridinyl]-1-benzofuran-5-carboxamide
SMILESO=C(NCCCCN1CCC(c2ccc3c(c2OCC2CC2)CCCC3)CC1)c1ccc2oc(-c3ccc(C(F)(F)F)nc3)cc2c1
InChIInChI=1S/C38H42F3N3O3/c39-38(40,41)35-14-11-29(23-43-35)34-22-30-21-28(10-13-33(30)47-34)37(45)42-17-3-4-18-44-19-15-27(16-20-44)32-12-9-26-5-1-2-6-31(26)36(32)46-24-25-7-8-25/h9-14,21-23,25,27H,1-8,15-20,24H2,(H,42,45)
InChIKeyMDJVNSDMOXBUIY-UHFFFAOYSA-N
XLogP8.57
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500645.77
LogP ≤ 58.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[4-[4-[1-(cyclopropylmethoxy)-5,6,7,8-tetrahydronaphthalen-2-yl]piperidin-1-yl]butyl]-2-[6-(trifluoromethyl)-3-pyridinyl]-1-benzofuran-5-carboxamide with MolForge

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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
N-cyclopropyl-2-[2-[6,6-dimethyl-8-(2-morpholin-4-ylethoxy)-11-oxonaphtho[2,3-b][1]benzofuran-3-yl]ethynyl]pyridine-4-carboxamide
CID 168282095
4-[3-[2-[4-(Cyclopropylmethoxy)-2-pyridinyl]ethynyl]-6,6-dimethyl-11-oxonaphtho[3,2-b][1]benzofuran-8-yl]piperazin-2-one
CID 168283233
4-[2-[3-[2-[4-(Cyclopropylmethoxy)-2-pyridinyl]ethynyl]-6,6-dimethyl-11-oxonaphtho[3,2-b][1]benzofuran-8-yl]oxyethyl]piperazin-2-one
CID 168290317
Quinoline-6-carboxylic acid trans-(4-{2-[4-(2,3-dihydro-benzofuran-4-yl)-piperidin-1-yl]-ethyl}-cyclohexyl)-amide
CID 57386456
N-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-4-pyridin-3-ylbenzamide
CID 70675487
N-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-6-methylpyridine-3-carboxamide
CID 70675511
4-pyridin-3-yl-N-[[4-(trifluoromethyl)phenyl]methyl]-1-benzofuran-7-carboxamide
CID 46943085
N-[2-[4-(3-acetamidophenyl)piperidin-1-yl]ethyl]-5-pyridin-4-ylbenzo[g][1]benzofuran-2-carboxamide
CID 72715352
N-[4-[4-[2,5-dimethyl-4-(pyridin-2-ylmethoxy)phenyl]piperidin-1-yl]butyl]-4-[4-(trifluoromethyl)phenyl]benzamide
CID 10189206
[6-[2-(5-Ethylpyridin-2-yl)ethoxy]naphthalen-2-yl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 10230869
2-(4-fluorophenyl)-N-methyl-5-[2-methyl-4-(oxan-4-ylmethoxy)-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]-1-benzofuran-3-carboxamide
CID 53468026

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[1-(cyclopropylmethoxy)-5,6,7,8-tetrahydronaphthalen-2-yl]piperidin-1-yl]butyl]-2-[6-(trifluoromethyl)-3-pyridinyl]-1-benzofuran-5-carboxamide?
The IUPAC name of N-[4-[4-[1-(cyclopropylmethoxy)-5,6,7,8-tetrahydronaphthalen-2-yl]piperidin-1-yl]butyl]-2-[6-(trifluoromethyl)-3-pyridinyl]-1-benzofuran-5-carboxamide (CID 10283013) is N-[4-[4-[1-(cyclopropylmethoxy)-5,6,7,8-tetrahydronaphthalen-2-yl]piperidin-1-yl]butyl]-2-[6-(trifluoromethyl)-3-pyridinyl]-1-benzofuran-5-carboxamide.
What is the SMILES notation for N-[4-[4-[1-(cyclopropylmethoxy)-5,6,7,8-tetrahydronaphthalen-2-yl]piperidin-1-yl]butyl]-2-[6-(trifluoromethyl)-3-pyridinyl]-1-benzofuran-5-carboxamide?
The canonical SMILES for N-[4-[4-[1-(cyclopropylmethoxy)-5,6,7,8-tetrahydronaphthalen-2-yl]piperidin-1-yl]butyl]-2-[6-(trifluoromethyl)-3-pyridinyl]-1-benzofuran-5-carboxamide is O=C(NCCCCN1CCC(c2ccc3c(c2OCC2CC2)CCCC3)CC1)c1ccc2oc(-c3ccc(C(F)(F)F)nc3)cc2c1.
What is the InChIKey of N-[4-[4-[1-(cyclopropylmethoxy)-5,6,7,8-tetrahydronaphthalen-2-yl]piperidin-1-yl]butyl]-2-[6-(trifluoromethyl)-3-pyridinyl]-1-benzofuran-5-carboxamide?
The InChIKey is MDJVNSDMOXBUIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H42F3N3O3/c39-38(40,41)35-14-11-29(23-43-35)34-22-30-21-28(10-13-33(30)47-34)37(45)42-17-3-4-18-44-19-15-27(16-20-44)32-12-9-26-5-1-2-6-31(26)36(32)46-24-25-7-8-25/h9-14,21-23,25,27H,1-8,15-20,24H2,(H,42,45).
What are the key properties of N-[4-[4-[1-(cyclopropylmethoxy)-5,6,7,8-tetrahydronaphthalen-2-yl]piperidin-1-yl]butyl]-2-[6-(trifluoromethyl)-3-pyridinyl]-1-benzofuran-5-carboxamide?
N-[4-[4-[1-(cyclopropylmethoxy)-5,6,7,8-tetrahydronaphthalen-2-yl]piperidin-1-yl]butyl]-2-[6-(trifluoromethyl)-3-pyridinyl]-1-benzofuran-5-carboxamide has a molecular weight of 645.77 g/mol, XLogP of 8.57, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[1-(cyclopropylmethoxy)-5,6,7,8-tetrahydronaphthalen-2-yl]piperidin-1-yl]butyl]-2-[6-(trifluoromethyl)-3-pyridinyl]-1-benzofuran-5-carboxamide is sourced from PubChem (CID 10283013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).