N-benzyl-N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide

C31H35N3O2 — CID 140931142

IUPACN-benzyl-N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide
SMILESCOc1cccc(CCN2CCCC(CN(Cc3ccccc3)C(=O)c3cc4ccccc4[nH]3)C2)c1
InChIInChI=1S/C31H35N3O2/c1-36-28-14-7-11-24(19-28)16-18-33-17-8-12-26(21-33)23-34(22-25-9-3-2-4-10-25)31(35)30-20-27-13-5-6-15-29(27)32-30/h2-7,9-11,13-15,19-20,26,32H,8,12,16-18,21-23H2,1H3
InChIKeyCBNTYAWXCUJKKC-UHFFFAOYSA-N
MW481.64 g/mol
LogP5.77
Rot. Bonds9

About N-benzyl-N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide

N-benzyl-N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide (PubChem CID 140931142) has the molecular formula C31H35N3O2 and a molecular weight of 481.64 g/mol. Its IUPAC name is N-benzyl-N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide
PubChem CID140931142
Molecular FormulaC31H35N3O2
Molecular Weight481.64 g/mol
Exact Mass481.27
IUPAC NameN-benzyl-N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide
SMILESCOc1cccc(CCN2CCCC(CN(Cc3ccccc3)C(=O)c3cc4ccccc4[nH]3)C2)c1
InChIInChI=1S/C31H35N3O2/c1-36-28-14-7-11-24(19-28)16-18-33-17-8-12-26(21-33)23-34(22-25-9-3-2-4-10-25)31(35)30-20-27-13-5-6-15-29(27)32-30/h2-7,9-11,13-15,19-20,26,32H,8,12,16-18,21-23H2,1H3
InChIKeyCBNTYAWXCUJKKC-UHFFFAOYSA-N
XLogP5.77
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.64
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-propan-2-yl-1H-indole-2-carboxamide
CID 140931219
N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide
CID 140931178
N-ethyl-N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]benzamide
CID 140931186
N-ethyl-N-[[(3R)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-1H-pyrrole-2-carboxamide
CID 97454121
2-(dimethylamino)-N-ethyl-N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]acetamide
CID 45229441
N-ethyl-2-methoxy-N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]acetamide
CID 45218660
N-ethyl-N-[[(3S)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-5-methylthiophene-2-carboxamide
CID 42401892
4-ethenyl-N-ethyl-N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]benzamide
CID 45199416
N-ethyl-N-[[(3S)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-2-methylsulfanylacetamide
CID 42401697
N-ethyl-N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-1,3-benzoxazole-2-carboxamide
CID 140931220
N-ethyl-6-methoxy-N-[[1-[(4-methylphenyl)methyl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide
CID 159721704
methyl 4-[ethyl-[[(3S)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]amino]-4-oxobutanoate
CID 42509025

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide?
The IUPAC name of N-benzyl-N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide (CID 140931142) is N-benzyl-N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-benzyl-N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide?
The canonical SMILES for N-benzyl-N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide is COc1cccc(CCN2CCCC(CN(Cc3ccccc3)C(=O)c3cc4ccccc4[nH]3)C2)c1.
What is the InChIKey of N-benzyl-N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide?
The InChIKey is CBNTYAWXCUJKKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35N3O2/c1-36-28-14-7-11-24(19-28)16-18-33-17-8-12-26(21-33)23-34(22-25-9-3-2-4-10-25)31(35)30-20-27-13-5-6-15-29(27)32-30/h2-7,9-11,13-15,19-20,26,32H,8,12,16-18,21-23H2,1H3.
What are the key properties of N-benzyl-N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide?
N-benzyl-N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide has a molecular weight of 481.64 g/mol, XLogP of 5.77, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 140931142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).