N-ethyl-N-[[1-[(4-ethylphenyl)methyl]piperidin-3-yl]methyl]-7-fluoro-1H-indole-2-carboxamide

C26H32FN3O — CID 159721703

IUPACN-ethyl-N-[[1-[(4-ethylphenyl)methyl]piperidin-3-yl]methyl]-7-fluoro-1H-indole-2-carboxamide
SMILESCCc1ccc(CN2CCCC(CN(CC)C(=O)c3cc4cccc(F)c4[nH]3)C2)cc1
InChIInChI=1S/C26H32FN3O/c1-3-19-10-12-20(13-11-19)16-29-14-6-7-21(17-29)18-30(4-2)26(31)24-15-22-8-5-9-23(27)25(22)28-24/h5,8-13,15,21,28H,3-4,6-7,14,16-18H2,1-2H3
InChIKeyRPRFONWPAXFVLE-UHFFFAOYSA-N
MW421.56 g/mol
LogP5.24
Rot. Bonds7

About N-ethyl-N-[[1-[(4-ethylphenyl)methyl]piperidin-3-yl]methyl]-7-fluoro-1H-indole-2-carboxamide

N-ethyl-N-[[1-[(4-ethylphenyl)methyl]piperidin-3-yl]methyl]-7-fluoro-1H-indole-2-carboxamide (PubChem CID 159721703) has the molecular formula C26H32FN3O and a molecular weight of 421.56 g/mol. Its IUPAC name is N-ethyl-N-[[1-[(4-ethylphenyl)methyl]piperidin-3-yl]methyl]-7-fluoro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[[1-[(4-ethylphenyl)methyl]piperidin-3-yl]methyl]-7-fluoro-1H-indole-2-carboxamide
PubChem CID159721703
Molecular FormulaC26H32FN3O
Molecular Weight421.56 g/mol
Exact Mass421.25
IUPAC NameN-ethyl-N-[[1-[(4-ethylphenyl)methyl]piperidin-3-yl]methyl]-7-fluoro-1H-indole-2-carboxamide
SMILESCCc1ccc(CN2CCCC(CN(CC)C(=O)c3cc4cccc(F)c4[nH]3)C2)cc1
InChIInChI=1S/C26H32FN3O/c1-3-19-10-12-20(13-11-19)16-29-14-6-7-21(17-29)18-30(4-2)26(31)24-15-22-8-5-9-23(27)25(22)28-24/h5,8-13,15,21,28H,3-4,6-7,14,16-18H2,1-2H3
InChIKeyRPRFONWPAXFVLE-UHFFFAOYSA-N
XLogP5.24
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.56
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-N-[[1-[(4-fluorophenyl)methyl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide
CID 140931134
N-ethyl-4-fluoro-N-[[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide
CID 140931213
N-ethyl-N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide
CID 129055459
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,5-diethyl-N-[[(3S)-1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]-1H-pyrrole-2-carboxamide
CID 97275993
N-[[1-(2,3-dihydro-1H-inden-1-yl)piperidin-3-yl]methyl]-N-ethyl-1H-indole-2-carboxamide
CID 129055393
(2S)-2-amino-N-[[(3R)-1-benzylpiperidin-3-yl]methyl]-N-ethylpropanamide
CID 96553063
N-ethyl-N-[[(3S)-1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 97283913
N-ethyl-N-[[(3S)-1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]-1H-indole-5-carboxamide
CID 42157128
N-ethyl-N-[[(3R)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-1H-pyrrole-2-carboxamide
CID 97454121
N-ethyl-N-[[(3R)-1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]cyclopropanecarboxamide
CID 42393054

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[1-[(4-ethylphenyl)methyl]piperidin-3-yl]methyl]-7-fluoro-1H-indole-2-carboxamide?
The IUPAC name of N-ethyl-N-[[1-[(4-ethylphenyl)methyl]piperidin-3-yl]methyl]-7-fluoro-1H-indole-2-carboxamide (CID 159721703) is N-ethyl-N-[[1-[(4-ethylphenyl)methyl]piperidin-3-yl]methyl]-7-fluoro-1H-indole-2-carboxamide.
What is the SMILES notation for N-ethyl-N-[[1-[(4-ethylphenyl)methyl]piperidin-3-yl]methyl]-7-fluoro-1H-indole-2-carboxamide?
The canonical SMILES for N-ethyl-N-[[1-[(4-ethylphenyl)methyl]piperidin-3-yl]methyl]-7-fluoro-1H-indole-2-carboxamide is CCc1ccc(CN2CCCC(CN(CC)C(=O)c3cc4cccc(F)c4[nH]3)C2)cc1.
What is the InChIKey of N-ethyl-N-[[1-[(4-ethylphenyl)methyl]piperidin-3-yl]methyl]-7-fluoro-1H-indole-2-carboxamide?
The InChIKey is RPRFONWPAXFVLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32FN3O/c1-3-19-10-12-20(13-11-19)16-29-14-6-7-21(17-29)18-30(4-2)26(31)24-15-22-8-5-9-23(27)25(22)28-24/h5,8-13,15,21,28H,3-4,6-7,14,16-18H2,1-2H3.
What are the key properties of N-ethyl-N-[[1-[(4-ethylphenyl)methyl]piperidin-3-yl]methyl]-7-fluoro-1H-indole-2-carboxamide?
N-ethyl-N-[[1-[(4-ethylphenyl)methyl]piperidin-3-yl]methyl]-7-fluoro-1H-indole-2-carboxamide has a molecular weight of 421.56 g/mol, XLogP of 5.24, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[1-[(4-ethylphenyl)methyl]piperidin-3-yl]methyl]-7-fluoro-1H-indole-2-carboxamide is sourced from PubChem (CID 159721703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).