(2S)-N-ethyl-N-[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]ethyl]-2-hydroxypropanamide

C19H29FN2O2 — CID 145297782

IUPAC(2S)-N-ethyl-N-[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]ethyl]-2-hydroxypropanamide
SMILESCCN(CCC1CCN(Cc2ccc(F)cc2)CC1)C(=O)[C@H](C)O
InChIInChI=1S/C19H29FN2O2/c1-3-22(19(24)15(2)23)13-10-16-8-11-21(12-9-16)14-17-4-6-18(20)7-5-17/h4-7,15-16,23H,3,8-14H2,1-2H3/t15-/m0/s1
InChIKeyFQEXUBZJWQHSEC-HNNXBMFYSA-N
MW336.45 g/mol
LogP2.66
Rot. Bonds7

About (2S)-N-ethyl-N-[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]ethyl]-2-hydroxypropanamide

(2S)-N-ethyl-N-[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]ethyl]-2-hydroxypropanamide (PubChem CID 145297782) has the molecular formula C19H29FN2O2 and a molecular weight of 336.45 g/mol. Its IUPAC name is (2S)-N-ethyl-N-[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]ethyl]-2-hydroxypropanamide.

Molecular Properties

Compound Name(2S)-N-ethyl-N-[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]ethyl]-2-hydroxypropanamide
PubChem CID145297782
Molecular FormulaC19H29FN2O2
Molecular Weight336.45 g/mol
Exact Mass336.22
IUPAC Name(2S)-N-ethyl-N-[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]ethyl]-2-hydroxypropanamide
SMILESCCN(CCC1CCN(Cc2ccc(F)cc2)CC1)C(=O)[C@H](C)O
InChIInChI=1S/C19H29FN2O2/c1-3-22(19(24)15(2)23)13-10-16-8-11-21(12-9-16)14-17-4-6-18(20)7-5-17/h4-7,15-16,23H,3,8-14H2,1-2H3/t15-/m0/s1
InChIKeyFQEXUBZJWQHSEC-HNNXBMFYSA-N
XLogP2.66
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.45
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-ethyl-N-[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]ethyl]-2-hydroxypropanamide?
The IUPAC name of (2S)-N-ethyl-N-[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]ethyl]-2-hydroxypropanamide (CID 145297782) is (2S)-N-ethyl-N-[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]ethyl]-2-hydroxypropanamide.
What is the SMILES notation for (2S)-N-ethyl-N-[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]ethyl]-2-hydroxypropanamide?
The canonical SMILES for (2S)-N-ethyl-N-[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]ethyl]-2-hydroxypropanamide is CCN(CCC1CCN(Cc2ccc(F)cc2)CC1)C(=O)[C@H](C)O.
What is the InChIKey of (2S)-N-ethyl-N-[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]ethyl]-2-hydroxypropanamide?
The InChIKey is FQEXUBZJWQHSEC-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H29FN2O2/c1-3-22(19(24)15(2)23)13-10-16-8-11-21(12-9-16)14-17-4-6-18(20)7-5-17/h4-7,15-16,23H,3,8-14H2,1-2H3/t15-/m0/s1.
What are the key properties of (2S)-N-ethyl-N-[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]ethyl]-2-hydroxypropanamide?
(2S)-N-ethyl-N-[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]ethyl]-2-hydroxypropanamide has a molecular weight of 336.45 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-ethyl-N-[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]ethyl]-2-hydroxypropanamide is sourced from PubChem (CID 145297782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).