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

C25H30FN3O2 — CID 140931213

IUPACN-ethyl-4-fluoro-N-[[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide
SMILESCCN(CC1CCCN(Cc2ccc(OC)cc2)C1)C(=O)c1cc2c(F)cccc2[nH]1
InChIInChI=1S/C25H30FN3O2/c1-3-29(25(30)24-14-21-22(26)7-4-8-23(21)27-24)17-19-6-5-13-28(16-19)15-18-9-11-20(31-2)12-10-18/h4,7-12,14,19,27H,3,5-6,13,15-17H2,1-2H3
InChIKeyJHRFHOPPXZHGIC-UHFFFAOYSA-N
MW423.53 g/mol
LogP4.69
Rot. Bonds7

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

N-ethyl-4-fluoro-N-[[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide (PubChem CID 140931213) has the molecular formula C25H30FN3O2 and a molecular weight of 423.53 g/mol. Its IUPAC name is N-ethyl-4-fluoro-N-[[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-fluoro-N-[[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide
PubChem CID140931213
Molecular FormulaC25H30FN3O2
Molecular Weight423.53 g/mol
Exact Mass423.23
IUPAC NameN-ethyl-4-fluoro-N-[[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide
SMILESCCN(CC1CCCN(Cc2ccc(OC)cc2)C1)C(=O)c1cc2c(F)cccc2[nH]1
InChIInChI=1S/C25H30FN3O2/c1-3-29(25(30)24-14-21-22(26)7-4-8-23(21)27-24)17-19-6-5-13-28(16-19)15-18-9-11-20(31-2)12-10-18/h4,7-12,14,19,27H,3,5-6,13,15-17H2,1-2H3
InChIKeyJHRFHOPPXZHGIC-UHFFFAOYSA-N
XLogP4.69
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.53
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-6-methoxy-N-[[1-[(4-methylphenyl)methyl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide
CID 159721704
N-ethyl-N-[[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methyl]-6-methyl-1H-indole-2-carboxamide
CID 140931168
N-ethyl-N-[[1-[(4-fluorophenyl)methyl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide
CID 140931134
N-ethyl-N-[[1-[(4-ethylphenyl)methyl]piperidin-3-yl]methyl]-7-fluoro-1H-indole-2-carboxamide
CID 159721703
N-ethyl-N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide
CID 129055459
N-ethyl-N-[[(3R)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-1H-pyrrole-2-carboxamide
CID 97454121
4-chloro-N-ethyl-2-fluoro-N-[[(3R)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]benzamide
CID 42415674
N-benzyl-N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide
CID 140931142
N-ethyl-N-[[1-(2-methoxyphenyl)piperidin-3-yl]methyl]-1H-indole-2-carboxamide
CID 129055456
(3R)-3-ethyl-1-[(4-methoxyphenyl)methyl]piperidine
CID 129394219
N-ethyl-N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]benzamide
CID 140931186
N,5-diethyl-N-[[(3S)-1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]-1H-pyrrole-2-carboxamide
CID 97275993

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-fluoro-N-[[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide?
The IUPAC name of N-ethyl-4-fluoro-N-[[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide (CID 140931213) is N-ethyl-4-fluoro-N-[[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-ethyl-4-fluoro-N-[[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide?
The canonical SMILES for N-ethyl-4-fluoro-N-[[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide is CCN(CC1CCCN(Cc2ccc(OC)cc2)C1)C(=O)c1cc2c(F)cccc2[nH]1.
What is the InChIKey of N-ethyl-4-fluoro-N-[[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide?
The InChIKey is JHRFHOPPXZHGIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30FN3O2/c1-3-29(25(30)24-14-21-22(26)7-4-8-23(21)27-24)17-19-6-5-13-28(16-19)15-18-9-11-20(31-2)12-10-18/h4,7-12,14,19,27H,3,5-6,13,15-17H2,1-2H3.
What are the key properties of N-ethyl-4-fluoro-N-[[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide?
N-ethyl-4-fluoro-N-[[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide has a molecular weight of 423.53 g/mol, XLogP of 4.69, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-fluoro-N-[[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 140931213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).