3-ethoxy-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)piperidine-1-carboxamide

C17H23FN2O2 — CID 47758359

IUPAC3-ethoxy-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)piperidine-1-carboxamide
SMILESCCOC1CCCN(C(=O)NC2CCc3c(F)cccc32)C1
InChIInChI=1S/C17H23FN2O2/c1-2-22-12-5-4-10-20(11-12)17(21)19-16-9-8-13-14(16)6-3-7-15(13)18/h3,6-7,12,16H,2,4-5,8-11H2,1H3,(H,19,21)
InChIKeyPDEFULKZXGPZSC-UHFFFAOYSA-N
MW306.38 g/mol
LogP3.02
Rot. Bonds3

About 3-ethoxy-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)piperidine-1-carboxamide

3-ethoxy-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)piperidine-1-carboxamide (PubChem CID 47758359) has the molecular formula C17H23FN2O2 and a molecular weight of 306.38 g/mol. Its IUPAC name is 3-ethoxy-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name3-ethoxy-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)piperidine-1-carboxamide
PubChem CID47758359
Molecular FormulaC17H23FN2O2
Molecular Weight306.38 g/mol
Exact Mass306.17
IUPAC Name3-ethoxy-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)piperidine-1-carboxamide
SMILESCCOC1CCCN(C(=O)NC2CCc3c(F)cccc32)C1
InChIInChI=1S/C17H23FN2O2/c1-2-22-12-5-4-10-20(11-12)17(21)19-16-9-8-13-14(16)6-3-7-15(13)18/h3,6-7,12,16H,2,4-5,8-11H2,1H3,(H,19,21)
InChIKeyPDEFULKZXGPZSC-UHFFFAOYSA-N
XLogP3.02
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-phenylethyl)morpholine-4-carboxamide
CID 3136314
N-(9H-fluoren-9-yl)morpholine-4-carboxamide
CID 806424
N-{[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl}-N'-ethyl-N-(2-methoxyethyl)urea
CID 23723868
Urea, 1-(2-morpholinobutyryl)-3-(1-indanyl)-
CID 110875
1-Indanamine, N-(2-morpholinopropionyl)-
CID 110879
N-(2,3-Dihydro-1H-inden-1-yl)-4-(morpholin-4-yl)butanimidic acid
CID 110883
Urea, 1-(2-morpholinoacetyl)-3-(1-indanyl)-
CID 110889
Urea, 1-(2-morpholinopropionyl)-3-(1-indanyl)-
CID 110890
N-{[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl}-N-(2-methoxyethyl)-N'-propylurea
CID 23723799
1-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)piperidine-1,4-dicarboxamide
CID 56819402
1-[2-(4-Fluoro-2-methylphenyl)ethyl]-3-(2-morpholin-4-ylpropyl)urea
CID 71856970
(3S,3aR,7aR)-3-[(dimethylamino)methyl]-N-[(3-fluorophenyl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine-5-carboxamide
CID 97408153

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)piperidine-1-carboxamide?
The IUPAC name of 3-ethoxy-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)piperidine-1-carboxamide (CID 47758359) is 3-ethoxy-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)piperidine-1-carboxamide.
What is the SMILES notation for 3-ethoxy-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)piperidine-1-carboxamide?
The canonical SMILES for 3-ethoxy-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)piperidine-1-carboxamide is CCOC1CCCN(C(=O)NC2CCc3c(F)cccc32)C1.
What is the InChIKey of 3-ethoxy-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)piperidine-1-carboxamide?
The InChIKey is PDEFULKZXGPZSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O2/c1-2-22-12-5-4-10-20(11-12)17(21)19-16-9-8-13-14(16)6-3-7-15(13)18/h3,6-7,12,16H,2,4-5,8-11H2,1H3,(H,19,21).
What are the key properties of 3-ethoxy-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)piperidine-1-carboxamide?
3-ethoxy-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)piperidine-1-carboxamide has a molecular weight of 306.38 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)piperidine-1-carboxamide is sourced from PubChem (CID 47758359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).