N-[4-[4-(1-methylindol-3-yl)piperidin-1-yl]butyl]-4-[4-(trifluoromethyl)phenyl]benzamide

C32H34F3N3O — CID 10280183

IUPACN-[4-[4-(1-methylindol-3-yl)piperidin-1-yl]butyl]-4-[4-(trifluoromethyl)phenyl]benzamide
SMILESCn1cc(C2CCN(CCCCNC(=O)c3ccc(-c4ccc(C(F)(F)F)cc4)cc3)CC2)c2ccccc21
InChIInChI=1S/C32H34F3N3O/c1-37-22-29(28-6-2-3-7-30(28)37)25-16-20-38(21-17-25)19-5-4-18-36-31(39)26-10-8-23(9-11-26)24-12-14-27(15-13-24)32(33,34)35/h2-3,6-15,22,25H,4-5,16-21H2,1H3,(H,36,39)
InChIKeyRVEGIAIZRDRUHS-UHFFFAOYSA-N
MW533.64 g/mol
LogP7.25
Rot. Bonds8

About N-[4-[4-(1-methylindol-3-yl)piperidin-1-yl]butyl]-4-[4-(trifluoromethyl)phenyl]benzamide

N-[4-[4-(1-methylindol-3-yl)piperidin-1-yl]butyl]-4-[4-(trifluoromethyl)phenyl]benzamide (PubChem CID 10280183) has the molecular formula C32H34F3N3O and a molecular weight of 533.64 g/mol. Its IUPAC name is N-[4-[4-(1-methylindol-3-yl)piperidin-1-yl]butyl]-4-[4-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound NameN-[4-[4-(1-methylindol-3-yl)piperidin-1-yl]butyl]-4-[4-(trifluoromethyl)phenyl]benzamide
PubChem CID10280183
Molecular FormulaC32H34F3N3O
Molecular Weight533.64 g/mol
Exact Mass533.27
IUPAC NameN-[4-[4-(1-methylindol-3-yl)piperidin-1-yl]butyl]-4-[4-(trifluoromethyl)phenyl]benzamide
SMILESCn1cc(C2CCN(CCCCNC(=O)c3ccc(-c4ccc(C(F)(F)F)cc4)cc3)CC2)c2ccccc21
InChIInChI=1S/C32H34F3N3O/c1-37-22-29(28-6-2-3-7-30(28)37)25-16-20-38(21-17-25)19-5-4-18-36-31(39)26-10-8-23(9-11-26)24-12-14-27(15-13-24)32(33,34)35/h2-3,6-15,22,25H,4-5,16-21H2,1H3,(H,36,39)
InChIKeyRVEGIAIZRDRUHS-UHFFFAOYSA-N
XLogP7.25
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.64
LogP ≤ 57.25
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-[4-ethyl-2-(2-hydroxyethoxy)phenyl]piperidin-1-yl]butyl]-4-[4-(trifluoromethyl)phenyl]benzamide;hydrochloride
CID 44532847
N-[4-[4-(1-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)piperidin-1-yl]butyl]-3-[4-(trifluoromethyl)phenyl]benzamide
CID 44532782
[3,5-bis(trifluoromethyl)phenyl]-[4-(1-methylindol-3-yl)piperidin-1-yl]methanone
CID 46103714
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-[4-[4-(2-ethoxy-4-methylanilino)piperidin-1-yl]butyl]-4-[4-(trifluoromethyl)phenyl]benzamide
CID 68516334
N-[4-(4-methylpiperazin-1-yl)butyl]-4-[2-(trifluoromethyl)phenyl]benzamide
CID 59840242
N-[4-(2-phenylmorpholin-4-yl)butyl]-4-(trifluoromethyl)benzamide
CID 16892610
N-(3-aminopropyl)-4-(1-methylindol-3-yl)cyclohexane-1-carboxamide
CID 84613024
N-(3-piperazin-1-ylpropyl)-4-(trifluoromethyl)benzamide;hydrochloride
CID 119391119
4-phenyl-N-(4-piperazin-1-ylbutyl)benzamide
CID 144947702
4-(4-cyanophenyl)-N-[4-[4-(4-hydroxy-2,5-dimethylphenyl)piperidin-1-yl]butyl]benzamide
CID 44532908
[4-(1-benzylindol-3-yl)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 25066524

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(1-methylindol-3-yl)piperidin-1-yl]butyl]-4-[4-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of N-[4-[4-(1-methylindol-3-yl)piperidin-1-yl]butyl]-4-[4-(trifluoromethyl)phenyl]benzamide (CID 10280183) is N-[4-[4-(1-methylindol-3-yl)piperidin-1-yl]butyl]-4-[4-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for N-[4-[4-(1-methylindol-3-yl)piperidin-1-yl]butyl]-4-[4-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for N-[4-[4-(1-methylindol-3-yl)piperidin-1-yl]butyl]-4-[4-(trifluoromethyl)phenyl]benzamide is Cn1cc(C2CCN(CCCCNC(=O)c3ccc(-c4ccc(C(F)(F)F)cc4)cc3)CC2)c2ccccc21.
What is the InChIKey of N-[4-[4-(1-methylindol-3-yl)piperidin-1-yl]butyl]-4-[4-(trifluoromethyl)phenyl]benzamide?
The InChIKey is RVEGIAIZRDRUHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34F3N3O/c1-37-22-29(28-6-2-3-7-30(28)37)25-16-20-38(21-17-25)19-5-4-18-36-31(39)26-10-8-23(9-11-26)24-12-14-27(15-13-24)32(33,34)35/h2-3,6-15,22,25H,4-5,16-21H2,1H3,(H,36,39).
What are the key properties of N-[4-[4-(1-methylindol-3-yl)piperidin-1-yl]butyl]-4-[4-(trifluoromethyl)phenyl]benzamide?
N-[4-[4-(1-methylindol-3-yl)piperidin-1-yl]butyl]-4-[4-(trifluoromethyl)phenyl]benzamide has a molecular weight of 533.64 g/mol, XLogP of 7.25, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(1-methylindol-3-yl)piperidin-1-yl]butyl]-4-[4-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 10280183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).