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

C24H28FN3O — CID 140931134

IUPACN-ethyl-N-[[1-[(4-fluorophenyl)methyl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide
SMILESCCN(CC1CCCN(Cc2ccc(F)cc2)C1)C(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C24H28FN3O/c1-2-28(24(29)23-14-20-7-3-4-8-22(20)26-23)17-19-6-5-13-27(16-19)15-18-9-11-21(25)12-10-18/h3-4,7-12,14,19,26H,2,5-6,13,15-17H2,1H3
InChIKeySAZUEHDYVGNNCL-UHFFFAOYSA-N
MW393.51 g/mol
LogP4.68
Rot. Bonds6

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

N-ethyl-N-[[1-[(4-fluorophenyl)methyl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide (PubChem CID 140931134) has the molecular formula C24H28FN3O and a molecular weight of 393.51 g/mol. Its IUPAC name is N-ethyl-N-[[1-[(4-fluorophenyl)methyl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[[1-[(4-fluorophenyl)methyl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide
PubChem CID140931134
Molecular FormulaC24H28FN3O
Molecular Weight393.51 g/mol
Exact Mass393.22
IUPAC NameN-ethyl-N-[[1-[(4-fluorophenyl)methyl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide
SMILESCCN(CC1CCCN(Cc2ccc(F)cc2)C1)C(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C24H28FN3O/c1-2-28(24(29)23-14-20-7-3-4-8-22(20)26-23)17-19-6-5-13-27(16-19)15-18-9-11-21(25)12-10-18/h3-4,7-12,14,19,26H,2,5-6,13,15-17H2,1H3
InChIKeySAZUEHDYVGNNCL-UHFFFAOYSA-N
XLogP4.68
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide
CID 129055459
N-ethyl-N-[[1-[(4-ethylphenyl)methyl]piperidin-3-yl]methyl]-7-fluoro-1H-indole-2-carboxamide
CID 159721703
N-ethyl-4-fluoro-N-[[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide
CID 140931213
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-(2-methoxyphenyl)piperidin-3-yl]methyl]-1H-indole-2-carboxamide
CID 129055456
N-[[1-[(3-chlorophenyl)methyl]piperidin-4-yl]methyl]-N-ethyl-1H-indole-2-carboxamide
CID 140931172
N-[[1-(2,3-dihydro-1H-inden-1-yl)piperidin-3-yl]methyl]-N-ethyl-1H-indole-2-carboxamide
CID 129055393
N-ethyl-N-[[8-[(4-methylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]methyl]-1H-indole-2-carboxamide
CID 158461798
N-benzyl-N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide
CID 140931142
4-[[3-[[ethyl-[hydroxy(1H-indol-2-yl)methyl]amino]methyl]piperidin-1-yl]methyl]benzonitrile
CID 129055593
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-N-[[1-[(4-fluorophenyl)methyl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide?
The IUPAC name of N-ethyl-N-[[1-[(4-fluorophenyl)methyl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide (CID 140931134) is N-ethyl-N-[[1-[(4-fluorophenyl)methyl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-ethyl-N-[[1-[(4-fluorophenyl)methyl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide?
The canonical SMILES for N-ethyl-N-[[1-[(4-fluorophenyl)methyl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide is CCN(CC1CCCN(Cc2ccc(F)cc2)C1)C(=O)c1cc2ccccc2[nH]1.
What is the InChIKey of N-ethyl-N-[[1-[(4-fluorophenyl)methyl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide?
The InChIKey is SAZUEHDYVGNNCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN3O/c1-2-28(24(29)23-14-20-7-3-4-8-22(20)26-23)17-19-6-5-13-27(16-19)15-18-9-11-21(25)12-10-18/h3-4,7-12,14,19,26H,2,5-6,13,15-17H2,1H3.
What are the key properties of N-ethyl-N-[[1-[(4-fluorophenyl)methyl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide?
N-ethyl-N-[[1-[(4-fluorophenyl)methyl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide has a molecular weight of 393.51 g/mol, XLogP of 4.68, 6 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-fluorophenyl)methyl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 140931134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).