N-[4-[4-(2-ethoxy-4-methylanilino)piperidin-1-yl]butyl]-4-[4-(trifluoromethyl)phenyl]benzamide

C32H38F3N3O2 — CID 68516334

IUPACN-[4-[4-(2-ethoxy-4-methylanilino)piperidin-1-yl]butyl]-4-[4-(trifluoromethyl)phenyl]benzamide
SMILESCCOc1cc(C)ccc1NC1CCN(CCCCNC(=O)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)CC1
InChIInChI=1S/C32H38F3N3O2/c1-3-40-30-22-23(2)6-15-29(30)37-28-16-20-38(21-17-28)19-5-4-18-36-31(39)26-9-7-24(8-10-26)25-11-13-27(14-12-25)32(33,34)35/h6-15,22,28,37H,3-5,16-21H2,1-2H3,(H,36,39)
InChIKeyVUNLGTNOLREEJM-UHFFFAOYSA-N
MW553.67 g/mol
LogP7.17
Rot. Bonds11

About N-[4-[4-(2-ethoxy-4-methylanilino)piperidin-1-yl]butyl]-4-[4-(trifluoromethyl)phenyl]benzamide

N-[4-[4-(2-ethoxy-4-methylanilino)piperidin-1-yl]butyl]-4-[4-(trifluoromethyl)phenyl]benzamide (PubChem CID 68516334) has the molecular formula C32H38F3N3O2 and a molecular weight of 553.67 g/mol. Its IUPAC name is N-[4-[4-(2-ethoxy-4-methylanilino)piperidin-1-yl]butyl]-4-[4-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound NameN-[4-[4-(2-ethoxy-4-methylanilino)piperidin-1-yl]butyl]-4-[4-(trifluoromethyl)phenyl]benzamide
PubChem CID68516334
Molecular FormulaC32H38F3N3O2
Molecular Weight553.67 g/mol
Exact Mass553.29
IUPAC NameN-[4-[4-(2-ethoxy-4-methylanilino)piperidin-1-yl]butyl]-4-[4-(trifluoromethyl)phenyl]benzamide
SMILESCCOc1cc(C)ccc1NC1CCN(CCCCNC(=O)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)CC1
InChIInChI=1S/C32H38F3N3O2/c1-3-40-30-22-23(2)6-15-29(30)37-28-16-20-38(21-17-28)19-5-4-18-36-31(39)26-9-7-24(8-10-26)25-11-13-27(14-12-25)32(33,34)35/h6-15,22,28,37H,3-5,16-21H2,1-2H3,(H,36,39)
InChIKeyVUNLGTNOLREEJM-UHFFFAOYSA-N
XLogP7.17
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.67
LogP ≤ 57.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[4-[4-ethyl-2-(2-hydroxyethoxy)phenyl]piperidin-1-yl]butyl]-4-[4-(trifluoromethyl)phenyl]benzamide;hydrochloride
CID 44532847
N-[4-[4-(2-ethoxy-4-methylphenyl)piperidin-1-yl]butyl]-4-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 10210186
N-[4-[4-(1-methylindol-3-yl)piperidin-1-yl]butyl]-4-[4-(trifluoromethyl)phenyl]benzamide
CID 10280183
N-[1-[4-(2,6-diethoxyanilino)butyl]piperidin-4-yl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 139949097
N-[4-[4-(1-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)piperidin-1-yl]butyl]-3-[4-(trifluoromethyl)phenyl]benzamide
CID 44532782
N-[1-(3-chloropropyl)piperidin-4-yl]-4-methylbenzamide
CID 54204989
N-(3-piperazin-1-ylpropyl)-4-(trifluoromethyl)benzamide;hydrochloride
CID 119391119
4-[(4-chlorobenzoyl)amino]-N-[4-[4-[2-(cyclopropylmethoxy)-4-methylphenyl]piperidin-1-yl]butyl]benzamide
CID 44532603
4-[4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]-N-pentylbenzamide
CID 72700353
N-[2-(2-chloro-5-methylphenoxy)ethyl]-4-(trifluoromethyl)benzamide
CID 113102845
1-[4-(4-methyl-2-propoxyanilino)piperidin-1-yl]ethanone
CID 60935911
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

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2-ethoxy-4-methylanilino)piperidin-1-yl]butyl]-4-[4-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of N-[4-[4-(2-ethoxy-4-methylanilino)piperidin-1-yl]butyl]-4-[4-(trifluoromethyl)phenyl]benzamide (CID 68516334) is N-[4-[4-(2-ethoxy-4-methylanilino)piperidin-1-yl]butyl]-4-[4-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for N-[4-[4-(2-ethoxy-4-methylanilino)piperidin-1-yl]butyl]-4-[4-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for N-[4-[4-(2-ethoxy-4-methylanilino)piperidin-1-yl]butyl]-4-[4-(trifluoromethyl)phenyl]benzamide is CCOc1cc(C)ccc1NC1CCN(CCCCNC(=O)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)CC1.
What is the InChIKey of N-[4-[4-(2-ethoxy-4-methylanilino)piperidin-1-yl]butyl]-4-[4-(trifluoromethyl)phenyl]benzamide?
The InChIKey is VUNLGTNOLREEJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38F3N3O2/c1-3-40-30-22-23(2)6-15-29(30)37-28-16-20-38(21-17-28)19-5-4-18-36-31(39)26-9-7-24(8-10-26)25-11-13-27(14-12-25)32(33,34)35/h6-15,22,28,37H,3-5,16-21H2,1-2H3,(H,36,39).
What are the key properties of N-[4-[4-(2-ethoxy-4-methylanilino)piperidin-1-yl]butyl]-4-[4-(trifluoromethyl)phenyl]benzamide?
N-[4-[4-(2-ethoxy-4-methylanilino)piperidin-1-yl]butyl]-4-[4-(trifluoromethyl)phenyl]benzamide has a molecular weight of 553.67 g/mol, XLogP of 7.17, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(2-ethoxy-4-methylanilino)piperidin-1-yl]butyl]-4-[4-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 68516334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).