N-[2-[4-(3-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]-2,3-dihydro-1H-indene-5-carboxamide

C23H27FN2O2 — CID 46965041

IUPACN-[2-[4-(3-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]-2,3-dihydro-1H-indene-5-carboxamide
SMILESO=C(NCCN1CCC(O)(c2cccc(F)c2)CC1)c1ccc2c(c1)CCC2
InChIInChI=1S/C23H27FN2O2/c24-21-6-2-5-20(16-21)23(28)9-12-26(13-10-23)14-11-25-22(27)19-8-7-17-3-1-4-18(17)15-19/h2,5-8,15-16,28H,1,3-4,9-14H2,(H,25,27)
InChIKeyVEQKMXZJKANHAO-UHFFFAOYSA-N
MW382.48 g/mol
LogP3.03
Rot. Bonds5

About N-[2-[4-(3-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]-2,3-dihydro-1H-indene-5-carboxamide

N-[2-[4-(3-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]-2,3-dihydro-1H-indene-5-carboxamide (PubChem CID 46965041) has the molecular formula C23H27FN2O2 and a molecular weight of 382.48 g/mol. Its IUPAC name is N-[2-[4-(3-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]-2,3-dihydro-1H-indene-5-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(3-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]-2,3-dihydro-1H-indene-5-carboxamide
PubChem CID46965041
Molecular FormulaC23H27FN2O2
Molecular Weight382.48 g/mol
Exact Mass382.21
IUPAC NameN-[2-[4-(3-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]-2,3-dihydro-1H-indene-5-carboxamide
SMILESO=C(NCCN1CCC(O)(c2cccc(F)c2)CC1)c1ccc2c(c1)CCC2
InChIInChI=1S/C23H27FN2O2/c24-21-6-2-5-20(16-21)23(28)9-12-26(13-10-23)14-11-25-22(27)19-8-7-17-3-1-4-18(17)15-19/h2,5-8,15-16,28H,1,3-4,9-14H2,(H,25,27)
InChIKeyVEQKMXZJKANHAO-UHFFFAOYSA-N
XLogP3.03
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.48
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(3-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]-2,3-dihydro-1H-indene-5-carboxamide?
The IUPAC name of N-[2-[4-(3-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]-2,3-dihydro-1H-indene-5-carboxamide (CID 46965041) is N-[2-[4-(3-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]-2,3-dihydro-1H-indene-5-carboxamide.
What is the SMILES notation for N-[2-[4-(3-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]-2,3-dihydro-1H-indene-5-carboxamide?
The canonical SMILES for N-[2-[4-(3-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]-2,3-dihydro-1H-indene-5-carboxamide is O=C(NCCN1CCC(O)(c2cccc(F)c2)CC1)c1ccc2c(c1)CCC2.
What is the InChIKey of N-[2-[4-(3-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]-2,3-dihydro-1H-indene-5-carboxamide?
The InChIKey is VEQKMXZJKANHAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN2O2/c24-21-6-2-5-20(16-21)23(28)9-12-26(13-10-23)14-11-25-22(27)19-8-7-17-3-1-4-18(17)15-19/h2,5-8,15-16,28H,1,3-4,9-14H2,(H,25,27).
What are the key properties of N-[2-[4-(3-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]-2,3-dihydro-1H-indene-5-carboxamide?
N-[2-[4-(3-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]-2,3-dihydro-1H-indene-5-carboxamide has a molecular weight of 382.48 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(3-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]-2,3-dihydro-1H-indene-5-carboxamide is sourced from PubChem (CID 46965041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).