N-ethyl-N-[[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methyl]-6-methyl-1H-indole-2-carboxamide

C26H33N3O2 — CID 140931168

IUPACN-ethyl-N-[[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methyl]-6-methyl-1H-indole-2-carboxamide
SMILESCCN(CC1CCCN(Cc2ccc(OC)cc2)C1)C(=O)c1cc2ccc(C)cc2[nH]1
InChIInChI=1S/C26H33N3O2/c1-4-29(26(30)25-15-22-10-7-19(2)14-24(22)27-25)18-21-6-5-13-28(17-21)16-20-8-11-23(31-3)12-9-20/h7-12,14-15,21,27H,4-6,13,16-18H2,1-3H3
InChIKeyCFDDBZZXTYQFOM-UHFFFAOYSA-N
MW419.57 g/mol
LogP4.86
Rot. Bonds7

About N-ethyl-N-[[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methyl]-6-methyl-1H-indole-2-carboxamide

N-ethyl-N-[[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methyl]-6-methyl-1H-indole-2-carboxamide (PubChem CID 140931168) has the molecular formula C26H33N3O2 and a molecular weight of 419.57 g/mol. Its IUPAC name is N-ethyl-N-[[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methyl]-6-methyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methyl]-6-methyl-1H-indole-2-carboxamide
PubChem CID140931168
Molecular FormulaC26H33N3O2
Molecular Weight419.57 g/mol
Exact Mass419.26
IUPAC NameN-ethyl-N-[[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methyl]-6-methyl-1H-indole-2-carboxamide
SMILESCCN(CC1CCCN(Cc2ccc(OC)cc2)C1)C(=O)c1cc2ccc(C)cc2[nH]1
InChIInChI=1S/C26H33N3O2/c1-4-29(26(30)25-15-22-10-7-19(2)14-24(22)27-25)18-21-6-5-13-28(17-21)16-20-8-11-23(31-3)12-9-20/h7-12,14-15,21,27H,4-6,13,16-18H2,1-3H3
InChIKeyCFDDBZZXTYQFOM-UHFFFAOYSA-N
XLogP4.86
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.57
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methyl]-6-methyl-1H-indole-2-carboxamide?
The IUPAC name of N-ethyl-N-[[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methyl]-6-methyl-1H-indole-2-carboxamide (CID 140931168) is N-ethyl-N-[[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methyl]-6-methyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-ethyl-N-[[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methyl]-6-methyl-1H-indole-2-carboxamide?
The canonical SMILES for N-ethyl-N-[[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methyl]-6-methyl-1H-indole-2-carboxamide is CCN(CC1CCCN(Cc2ccc(OC)cc2)C1)C(=O)c1cc2ccc(C)cc2[nH]1.
What is the InChIKey of N-ethyl-N-[[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methyl]-6-methyl-1H-indole-2-carboxamide?
The InChIKey is CFDDBZZXTYQFOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O2/c1-4-29(26(30)25-15-22-10-7-19(2)14-24(22)27-25)18-21-6-5-13-28(17-21)16-20-8-11-23(31-3)12-9-20/h7-12,14-15,21,27H,4-6,13,16-18H2,1-3H3.
What are the key properties of N-ethyl-N-[[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methyl]-6-methyl-1H-indole-2-carboxamide?
N-ethyl-N-[[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methyl]-6-methyl-1H-indole-2-carboxamide has a molecular weight of 419.57 g/mol, XLogP of 4.86, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methyl]-6-methyl-1H-indole-2-carboxamide is sourced from PubChem (CID 140931168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).