N-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-4-(1-hydroxyethyl)piperidine-1-carboxamide

C17H23FN2O2 — CID 111438729

IUPACN-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-4-(1-hydroxyethyl)piperidine-1-carboxamide
SMILESCC(O)C1CCN(C(=O)NC2CCc3ccc(F)cc32)CC1
InChIInChI=1S/C17H23FN2O2/c1-11(21)12-6-8-20(9-7-12)17(22)19-16-5-3-13-2-4-14(18)10-15(13)16/h2,4,10-12,16,21H,3,5-9H2,1H3,(H,19,22)
InChIKeyMPVIHKBUNXSTSS-UHFFFAOYSA-N
MW306.38 g/mol
LogP2.62
Rot. Bonds2

About N-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-4-(1-hydroxyethyl)piperidine-1-carboxamide

N-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-4-(1-hydroxyethyl)piperidine-1-carboxamide (PubChem CID 111438729) has the molecular formula C17H23FN2O2 and a molecular weight of 306.38 g/mol. Its IUPAC name is N-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-4-(1-hydroxyethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-4-(1-hydroxyethyl)piperidine-1-carboxamide
PubChem CID111438729
Molecular FormulaC17H23FN2O2
Molecular Weight306.38 g/mol
Exact Mass306.17
IUPAC NameN-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-4-(1-hydroxyethyl)piperidine-1-carboxamide
SMILESCC(O)C1CCN(C(=O)NC2CCc3ccc(F)cc32)CC1
InChIInChI=1S/C17H23FN2O2/c1-11(21)12-6-8-20(9-7-12)17(22)19-16-5-3-13-2-4-14(18)10-15(13)16/h2,4,10-12,16,21H,3,5-9H2,1H3,(H,19,22)
InChIKeyMPVIHKBUNXSTSS-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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Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-4-(1-hydroxyethyl)piperidine-1-carboxamide?
The IUPAC name of N-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-4-(1-hydroxyethyl)piperidine-1-carboxamide (CID 111438729) is N-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-4-(1-hydroxyethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-4-(1-hydroxyethyl)piperidine-1-carboxamide?
The canonical SMILES for N-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-4-(1-hydroxyethyl)piperidine-1-carboxamide is CC(O)C1CCN(C(=O)NC2CCc3ccc(F)cc32)CC1.
What is the InChIKey of N-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-4-(1-hydroxyethyl)piperidine-1-carboxamide?
The InChIKey is MPVIHKBUNXSTSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O2/c1-11(21)12-6-8-20(9-7-12)17(22)19-16-5-3-13-2-4-14(18)10-15(13)16/h2,4,10-12,16,21H,3,5-9H2,1H3,(H,19,22).
What are the key properties of N-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-4-(1-hydroxyethyl)piperidine-1-carboxamide?
N-(6-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-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-4-(1-hydroxyethyl)piperidine-1-carboxamide is sourced from PubChem (CID 111438729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).