N-[4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]cyclohexyl]-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxamide

C32H34F3N3OS — CID 44534593

IUPACN-[4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]cyclohexyl]-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxamide
SMILESO=C(NC1CCC(CN2CCC(c3c[nH]c4ccccc34)CC2)CC1)c1cc(-c2ccccc2)c(C(F)(F)F)s1
InChIInChI=1S/C32H34F3N3OS/c33-32(34,35)30-26(22-6-2-1-3-7-22)18-29(40-30)31(39)37-24-12-10-21(11-13-24)20-38-16-14-23(15-17-38)27-19-36-28-9-5-4-8-25(27)28/h1-9,18-19,21,23-24,36H,10-17,20H2,(H,37,39)
InChIKeyPRKJOAMEQAZHAY-UHFFFAOYSA-N
MW565.71 g/mol
LogP8.08
Rot. Bonds6

About N-[4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]cyclohexyl]-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxamide

N-[4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]cyclohexyl]-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxamide (PubChem CID 44534593) has the molecular formula C32H34F3N3OS and a molecular weight of 565.71 g/mol. Its IUPAC name is N-[4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]cyclohexyl]-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]cyclohexyl]-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxamide
PubChem CID44534593
Molecular FormulaC32H34F3N3OS
Molecular Weight565.71 g/mol
Exact Mass565.24
IUPAC NameN-[4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]cyclohexyl]-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxamide
SMILESO=C(NC1CCC(CN2CCC(c3c[nH]c4ccccc34)CC2)CC1)c1cc(-c2ccccc2)c(C(F)(F)F)s1
InChIInChI=1S/C32H34F3N3OS/c33-32(34,35)30-26(22-6-2-1-3-7-22)18-29(40-30)31(39)37-24-12-10-21(11-13-24)20-38-16-14-23(15-17-38)27-19-36-28-9-5-4-8-25(27)28/h1-9,18-19,21,23-24,36H,10-17,20H2,(H,37,39)
InChIKeyPRKJOAMEQAZHAY-UHFFFAOYSA-N
XLogP8.08
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.71
LogP ≤ 58.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]cyclohexyl]-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxamide?
The IUPAC name of N-[4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]cyclohexyl]-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxamide (CID 44534593) is N-[4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]cyclohexyl]-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxamide.
What is the SMILES notation for N-[4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]cyclohexyl]-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxamide?
The canonical SMILES for N-[4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]cyclohexyl]-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxamide is O=C(NC1CCC(CN2CCC(c3c[nH]c4ccccc34)CC2)CC1)c1cc(-c2ccccc2)c(C(F)(F)F)s1.
What is the InChIKey of N-[4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]cyclohexyl]-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxamide?
The InChIKey is PRKJOAMEQAZHAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34F3N3OS/c33-32(34,35)30-26(22-6-2-1-3-7-22)18-29(40-30)31(39)37-24-12-10-21(11-13-24)20-38-16-14-23(15-17-38)27-19-36-28-9-5-4-8-25(27)28/h1-9,18-19,21,23-24,36H,10-17,20H2,(H,37,39).
What are the key properties of N-[4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]cyclohexyl]-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxamide?
N-[4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]cyclohexyl]-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxamide has a molecular weight of 565.71 g/mol, XLogP of 8.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]cyclohexyl]-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxamide is sourced from PubChem (CID 44534593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).