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

C24H28FN3O — CID 129055459

IUPACN-ethyl-N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide
SMILESCCN(CC1CCCN(Cc2ccccc2F)C1)C(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C24H28FN3O/c1-2-28(24(29)23-14-19-9-4-6-12-22(19)26-23)16-18-8-7-13-27(15-18)17-20-10-3-5-11-21(20)25/h3-6,9-12,14,18,26H,2,7-8,13,15-17H2,1H3
InChIKeyYGEQTMUDIXCFNC-UHFFFAOYSA-N
MW393.51 g/mol
LogP4.68
Rot. Bonds6

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

N-ethyl-N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide (PubChem CID 129055459) has the molecular formula C24H28FN3O and a molecular weight of 393.51 g/mol. Its IUPAC name is N-ethyl-N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide
PubChem CID129055459
Molecular FormulaC24H28FN3O
Molecular Weight393.51 g/mol
Exact Mass393.22
IUPAC NameN-ethyl-N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide
SMILESCCN(CC1CCCN(Cc2ccccc2F)C1)C(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C24H28FN3O/c1-2-28(24(29)23-14-19-9-4-6-12-22(19)26-23)16-18-8-7-13-27(15-18)17-20-10-3-5-11-21(20)25/h3-6,9-12,14,18,26H,2,7-8,13,15-17H2,1H3
InChIKeyYGEQTMUDIXCFNC-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-[(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-4-fluoro-N-[[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide
CID 140931213
N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]-1H-indole-2-carboxamide
CID 26391063
N-[[1-(2,3-dihydro-1H-inden-1-yl)piperidin-3-yl]methyl]-N-ethyl-1H-indole-2-carboxamide
CID 129055393
N-ethyl-N-[[1-(2-methoxyphenyl)piperidin-3-yl]methyl]-1H-indole-2-carboxamide
CID 129055456
N-[[1-[1-(2-chloro-3-fluorophenyl)-2-methylpropan-2-yl]piperidin-4-yl]methyl]-N-ethyl-1H-indole-2-carboxamide
CID 129055628
N-[2-(dimethylamino)ethyl]-N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]-2-piperidin-1-ylacetamide
CID 45207108
N-ethyl-6-methoxy-N-[[1-[(4-methylphenyl)methyl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide
CID 159721704
N-[2-(dimethylamino)ethyl]-N-[[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]-2-methyl-1H-pyrrole-3-carboxamide
CID 97281831
N-ethyl-N-[[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methyl]-6-methyl-1H-indole-2-carboxamide
CID 140931168
2-(2,6-difluorophenyl)-N-[2-(dimethylamino)ethyl]-N-[[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]acetamide
CID 42593150

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide?
The IUPAC name of N-ethyl-N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide (CID 129055459) is N-ethyl-N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-ethyl-N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide?
The canonical SMILES for N-ethyl-N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide is CCN(CC1CCCN(Cc2ccccc2F)C1)C(=O)c1cc2ccccc2[nH]1.
What is the InChIKey of N-ethyl-N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide?
The InChIKey is YGEQTMUDIXCFNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN3O/c1-2-28(24(29)23-14-19-9-4-6-12-22(19)26-23)16-18-8-7-13-27(15-18)17-20-10-3-5-11-21(20)25/h3-6,9-12,14,18,26H,2,7-8,13,15-17H2,1H3.
What are the key properties of N-ethyl-N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide?
N-ethyl-N-[[1-[(2-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-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 129055459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).