N-benzyl-1-[[1-[(4-methylphenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide

C30H33N3O — CID 22585883

IUPACN-benzyl-1-[[1-[(4-methylphenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide
SMILESCc1ccc(Cn2c(CN3CCC(C(=O)NCc4ccccc4)CC3)cc3ccccc32)cc1
InChIInChI=1S/C30H33N3O/c1-23-11-13-25(14-12-23)21-33-28(19-27-9-5-6-10-29(27)33)22-32-17-15-26(16-18-32)30(34)31-20-24-7-3-2-4-8-24/h2-14,19,26H,15-18,20-22H2,1H3,(H,31,34)
InChIKeyCZUDRXURHDAKCR-UHFFFAOYSA-N
MW451.61 g/mol
LogP5.53
Rot. Bonds7

About N-benzyl-1-[[1-[(4-methylphenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide

N-benzyl-1-[[1-[(4-methylphenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide (PubChem CID 22585883) has the molecular formula C30H33N3O and a molecular weight of 451.61 g/mol. Its IUPAC name is N-benzyl-1-[[1-[(4-methylphenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-[[1-[(4-methylphenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide
PubChem CID22585883
Molecular FormulaC30H33N3O
Molecular Weight451.61 g/mol
Exact Mass451.26
IUPAC NameN-benzyl-1-[[1-[(4-methylphenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide
SMILESCc1ccc(Cn2c(CN3CCC(C(=O)NCc4ccccc4)CC3)cc3ccccc32)cc1
InChIInChI=1S/C30H33N3O/c1-23-11-13-25(14-12-23)21-33-28(19-27-9-5-6-10-29(27)33)22-32-17-15-26(16-18-32)30(34)31-20-24-7-3-2-4-8-24/h2-14,19,26H,15-18,20-22H2,1H3,(H,31,34)
InChIKeyCZUDRXURHDAKCR-UHFFFAOYSA-N
XLogP5.53
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.61
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chlorophenyl)methyl]-1-[[1-[(4-methylphenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide
CID 22585885
N-[(2-fluorophenyl)methyl]-1-[[1-[(4-methylphenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide
CID 22585914
N-benzyl-1-[[1-[(2-chlorophenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide
CID 50807642
N-[[4-(dimethylamino)phenyl]methyl]-1-[[1-[(3-methylphenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide
CID 50807745
N-[(2-ethoxyphenyl)methyl]-1-[[1-[(4-methylphenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide
CID 22585915
N-[(3-chlorophenyl)methyl]-1-[[1-[(3-methylphenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide
CID 50807625
1-[[1-[(3-fluorophenyl)methyl]indol-2-yl]methyl]-N-[(3-methylphenyl)methyl]piperidine-4-carboxamide
CID 50807728
1-[(1-benzylindol-2-yl)methyl]-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 50807953
N-[(4-fluorophenyl)methyl]-1-[[1-[(2-methylphenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide
CID 50807882
N-[2-(azepan-1-yl)ethyl]-1-[(1-benzylindol-2-yl)methyl]piperidine-4-carboxamide
CID 50807588
N-[(3S)-1,1-dioxothiolan-3-yl]-1-[[1-[(4-methylphenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide
CID 92714995
N-butyl-1-[[1-[(3-methylphenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide
CID 50807674

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[[1-[(4-methylphenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide?
The IUPAC name of N-benzyl-1-[[1-[(4-methylphenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide (CID 22585883) is N-benzyl-1-[[1-[(4-methylphenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-benzyl-1-[[1-[(4-methylphenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide?
The canonical SMILES for N-benzyl-1-[[1-[(4-methylphenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide is Cc1ccc(Cn2c(CN3CCC(C(=O)NCc4ccccc4)CC3)cc3ccccc32)cc1.
What is the InChIKey of N-benzyl-1-[[1-[(4-methylphenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide?
The InChIKey is CZUDRXURHDAKCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N3O/c1-23-11-13-25(14-12-23)21-33-28(19-27-9-5-6-10-29(27)33)22-32-17-15-26(16-18-32)30(34)31-20-24-7-3-2-4-8-24/h2-14,19,26H,15-18,20-22H2,1H3,(H,31,34).
What are the key properties of N-benzyl-1-[[1-[(4-methylphenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide?
N-benzyl-1-[[1-[(4-methylphenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide has a molecular weight of 451.61 g/mol, XLogP of 5.53, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-[[1-[(4-methylphenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 22585883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).