(2S)-N-ethyl-N-[2-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]ethyl]-2-hydroxypropanamide

C20H28FN3O2 — CID 156540505

IUPAC(2S)-N-ethyl-N-[2-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]ethyl]-2-hydroxypropanamide
SMILESCCN(CCN1CCC(c2c[nH]c3cc(F)ccc23)CC1)C(=O)[C@H](C)O
InChIInChI=1S/C20H28FN3O2/c1-3-24(20(26)14(2)25)11-10-23-8-6-15(7-9-23)18-13-22-19-12-16(21)4-5-17(18)19/h4-5,12-15,22,25H,3,6-11H2,1-2H3/t14-/m0/s1
InChIKeyJPPBOAXRPOZEIY-AWEZNQCLSA-N
MW361.46 g/mol
LogP2.72
Rot. Bonds6

About (2S)-N-ethyl-N-[2-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]ethyl]-2-hydroxypropanamide

(2S)-N-ethyl-N-[2-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]ethyl]-2-hydroxypropanamide (PubChem CID 156540505) has the molecular formula C20H28FN3O2 and a molecular weight of 361.46 g/mol. Its IUPAC name is (2S)-N-ethyl-N-[2-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]ethyl]-2-hydroxypropanamide.

Molecular Properties

Compound Name(2S)-N-ethyl-N-[2-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]ethyl]-2-hydroxypropanamide
PubChem CID156540505
Molecular FormulaC20H28FN3O2
Molecular Weight361.46 g/mol
Exact Mass361.22
IUPAC Name(2S)-N-ethyl-N-[2-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]ethyl]-2-hydroxypropanamide
SMILESCCN(CCN1CCC(c2c[nH]c3cc(F)ccc23)CC1)C(=O)[C@H](C)O
InChIInChI=1S/C20H28FN3O2/c1-3-24(20(26)14(2)25)11-10-23-8-6-15(7-9-23)18-13-22-19-12-16(21)4-5-17(18)19/h4-5,12-15,22,25H,3,6-11H2,1-2H3/t14-/m0/s1
InChIKeyJPPBOAXRPOZEIY-AWEZNQCLSA-N
XLogP2.72
TPSA59.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.46
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-ethyl-N-[2-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]ethyl]-2-hydroxypropanamide?
The IUPAC name of (2S)-N-ethyl-N-[2-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]ethyl]-2-hydroxypropanamide (CID 156540505) is (2S)-N-ethyl-N-[2-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]ethyl]-2-hydroxypropanamide.
What is the SMILES notation for (2S)-N-ethyl-N-[2-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]ethyl]-2-hydroxypropanamide?
The canonical SMILES for (2S)-N-ethyl-N-[2-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]ethyl]-2-hydroxypropanamide is CCN(CCN1CCC(c2c[nH]c3cc(F)ccc23)CC1)C(=O)[C@H](C)O.
What is the InChIKey of (2S)-N-ethyl-N-[2-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]ethyl]-2-hydroxypropanamide?
The InChIKey is JPPBOAXRPOZEIY-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H28FN3O2/c1-3-24(20(26)14(2)25)11-10-23-8-6-15(7-9-23)18-13-22-19-12-16(21)4-5-17(18)19/h4-5,12-15,22,25H,3,6-11H2,1-2H3/t14-/m0/s1.
What are the key properties of (2S)-N-ethyl-N-[2-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]ethyl]-2-hydroxypropanamide?
(2S)-N-ethyl-N-[2-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]ethyl]-2-hydroxypropanamide has a molecular weight of 361.46 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-ethyl-N-[2-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]ethyl]-2-hydroxypropanamide is sourced from PubChem (CID 156540505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).