N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-4-(1-hydroxyethyl)piperidine-1-carboxamide

C17H23FN2O2 — CID 111438431

IUPACN-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-4-(1-hydroxyethyl)piperidine-1-carboxamide
SMILESCC(O)C1CCN(C(=O)NC2CCc3cc(F)ccc32)CC1
InChIInChI=1S/C17H23FN2O2/c1-11(21)12-6-8-20(9-7-12)17(22)19-16-5-2-13-10-14(18)3-4-15(13)16/h3-4,10-12,16,21H,2,5-9H2,1H3,(H,19,22)
InChIKeyBPHCXWQIYMKROO-UHFFFAOYSA-N
MW306.38 g/mol
LogP2.62
Rot. Bonds2

About N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-4-(1-hydroxyethyl)piperidine-1-carboxamide

N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-4-(1-hydroxyethyl)piperidine-1-carboxamide (PubChem CID 111438431) has the molecular formula C17H23FN2O2 and a molecular weight of 306.38 g/mol. Its IUPAC name is N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-4-(1-hydroxyethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-4-(1-hydroxyethyl)piperidine-1-carboxamide
PubChem CID111438431
Molecular FormulaC17H23FN2O2
Molecular Weight306.38 g/mol
Exact Mass306.17
IUPAC NameN-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-4-(1-hydroxyethyl)piperidine-1-carboxamide
SMILESCC(O)C1CCN(C(=O)NC2CCc3cc(F)ccc32)CC1
InChIInChI=1S/C17H23FN2O2/c1-11(21)12-6-8-20(9-7-12)17(22)19-16-5-2-13-10-14(18)3-4-15(13)16/h3-4,10-12,16,21H,2,5-9H2,1H3,(H,19,22)
InChIKeyBPHCXWQIYMKROO-UHFFFAOYSA-N
XLogP2.62
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)piperidine-1,4-dicarboxamide
CID 56819402
1-(2,3-dihydro-1H-inden-1-yl)-1-(3-hydroxypropyl)-3-(thian-4-ylmethyl)urea
CID 75425272
N-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-3-hydroxypiperidine-1-carboxamide
CID 118740678
1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[2-(4-methoxypiperidin-1-yl)ethyl]urea
CID 71860616
N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-4-(oxolan-3-yloxy)piperidine-1-carboxamide
CID 71863469
1-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea
CID 71864356
3-(2,3-dihydro-1H-inden-1-yl)-1-[(2-hydroxycyclohexyl)methyl]-1-methylurea
CID 75518095
3-(1,2,3,3a,4,5-Hexahydroacenaphthylen-1-yl)-1-methyl-1-(3,3,3-trifluoro-2-hydroxypropyl)urea
CID 86790789
N-(2,3-dihydro-1H-inden-2-yl)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonane-7-carboxamide
CID 91649471
3-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)-1-sulfanylurea
CID 87494138
(2R,4S)-N-[2-(3,5-difluorophenyl)ethyl]-2-(4-fluoro-2-methylphenyl)-4-hydroxypiperidine-1-carboxamide
CID 140023248
(2R,4S)-N-[3-(3,5-difluorophenyl)-2-methylpropyl]-2-(4-fluoro-2-methylphenyl)-4-hydroxypiperidine-1-carboxamide
CID 140513981

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-4-(1-hydroxyethyl)piperidine-1-carboxamide?
The IUPAC name of N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-4-(1-hydroxyethyl)piperidine-1-carboxamide (CID 111438431) is N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-4-(1-hydroxyethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-4-(1-hydroxyethyl)piperidine-1-carboxamide?
The canonical SMILES for N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-4-(1-hydroxyethyl)piperidine-1-carboxamide is CC(O)C1CCN(C(=O)NC2CCc3cc(F)ccc32)CC1.
What is the InChIKey of N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-4-(1-hydroxyethyl)piperidine-1-carboxamide?
The InChIKey is BPHCXWQIYMKROO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O2/c1-11(21)12-6-8-20(9-7-12)17(22)19-16-5-2-13-10-14(18)3-4-15(13)16/h3-4,10-12,16,21H,2,5-9H2,1H3,(H,19,22).
What are the key properties of N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-4-(1-hydroxyethyl)piperidine-1-carboxamide?
N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-4-(1-hydroxyethyl)piperidine-1-carboxamide has a molecular weight of 306.38 g/mol, XLogP of 2.62, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-4-(1-hydroxyethyl)piperidine-1-carboxamide is sourced from PubChem (CID 111438431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).