1-[[1-[(4-fluorophenyl)methyl]indol-2-yl]methyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide

C32H34FN3O — CID 94083917

IUPAC1-[[1-[(4-fluorophenyl)methyl]indol-2-yl]methyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide
SMILESO=C(N[C@@H]1CCCc2ccccc21)C1CCN(Cc2cc3ccccc3n2Cc2ccc(F)cc2)CC1
InChIInChI=1S/C32H34FN3O/c33-27-14-12-23(13-15-27)21-36-28(20-26-7-2-4-11-31(26)36)22-35-18-16-25(17-19-35)32(37)34-30-10-5-8-24-6-1-3-9-29(24)30/h1-4,6-7,9,11-15,20,25,30H,5,8,10,16-19,21-22H2,(H,34,37)/t30-/m1/s1
InChIKeyLIYQLARCAIPHJN-SSEXGKCCSA-N
MW495.64 g/mol
LogP6.23
Rot. Bonds6

About 1-[[1-[(4-fluorophenyl)methyl]indol-2-yl]methyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide

1-[[1-[(4-fluorophenyl)methyl]indol-2-yl]methyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide (PubChem CID 94083917) has the molecular formula C32H34FN3O and a molecular weight of 495.64 g/mol. Its IUPAC name is 1-[[1-[(4-fluorophenyl)methyl]indol-2-yl]methyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[[1-[(4-fluorophenyl)methyl]indol-2-yl]methyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide
PubChem CID94083917
Molecular FormulaC32H34FN3O
Molecular Weight495.64 g/mol
Exact Mass495.27
IUPAC Name1-[[1-[(4-fluorophenyl)methyl]indol-2-yl]methyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide
SMILESO=C(N[C@@H]1CCCc2ccccc21)C1CCN(Cc2cc3ccccc3n2Cc2ccc(F)cc2)CC1
InChIInChI=1S/C32H34FN3O/c33-27-14-12-23(13-15-27)21-36-28(20-26-7-2-4-11-31(26)36)22-35-18-16-25(17-19-35)32(37)34-30-10-5-8-24-6-1-3-9-29(24)30/h1-4,6-7,9,11-15,20,25,30H,5,8,10,16-19,21-22H2,(H,34,37)/t30-/m1/s1
InChIKeyLIYQLARCAIPHJN-SSEXGKCCSA-N
XLogP6.23
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.64
LogP ≤ 56.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-methylphenyl)methyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide
CID 94024025
1-[[1-[(3-fluorophenyl)methyl]indol-2-yl]methyl]-N-(2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide
CID 50807560
1-[(3-methylphenyl)methyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide
CID 94024023
N-[2-(azepan-1-yl)ethyl]-1-[(1-benzylindol-2-yl)methyl]piperidine-4-carboxamide
CID 50807588
N-[(4-fluorophenyl)methyl]-1-[[1-[(2-methylphenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide
CID 50807882
1-[[1-[(3-fluorophenyl)methyl]indol-2-yl]methyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-4-carboxamide
CID 50807561
N-[(2-fluorophenyl)methyl]-1-[[1-[(4-methylphenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide
CID 22585914
N-benzyl-1-[[1-[(4-methylphenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide
CID 22585883
N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]cyclopropanecarboxamide
CID 7688429
N-[(4-chlorophenyl)methyl]-1-[[1-[(4-methylphenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide
CID 22585885
1-[[1-[(3-fluorophenyl)methyl]indol-2-yl]methyl]-N-[(3-methylphenyl)methyl]piperidine-4-carboxamide
CID 50807728
1-[[1-[(4-chlorophenyl)methyl]indol-2-yl]methyl]-N-[2-(cyclohexen-1-yl)ethyl]piperidine-4-carboxamide
CID 50807756

Frequently Asked Questions

What is the IUPAC name of 1-[[1-[(4-fluorophenyl)methyl]indol-2-yl]methyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[[1-[(4-fluorophenyl)methyl]indol-2-yl]methyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide (CID 94083917) is 1-[[1-[(4-fluorophenyl)methyl]indol-2-yl]methyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[[1-[(4-fluorophenyl)methyl]indol-2-yl]methyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[[1-[(4-fluorophenyl)methyl]indol-2-yl]methyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide is O=C(N[C@@H]1CCCc2ccccc21)C1CCN(Cc2cc3ccccc3n2Cc2ccc(F)cc2)CC1.
What is the InChIKey of 1-[[1-[(4-fluorophenyl)methyl]indol-2-yl]methyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide?
The InChIKey is LIYQLARCAIPHJN-SSEXGKCCSA-N. The full InChI is InChI=1S/C32H34FN3O/c33-27-14-12-23(13-15-27)21-36-28(20-26-7-2-4-11-31(26)36)22-35-18-16-25(17-19-35)32(37)34-30-10-5-8-24-6-1-3-9-29(24)30/h1-4,6-7,9,11-15,20,25,30H,5,8,10,16-19,21-22H2,(H,34,37)/t30-/m1/s1.
What are the key properties of 1-[[1-[(4-fluorophenyl)methyl]indol-2-yl]methyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide?
1-[[1-[(4-fluorophenyl)methyl]indol-2-yl]methyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide has a molecular weight of 495.64 g/mol, XLogP of 6.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-[(4-fluorophenyl)methyl]indol-2-yl]methyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide is sourced from PubChem (CID 94083917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).