N-ethyl-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]-3-morpholin-4-ylpropanamide

C23H36FN3O2 — CID 45216467

IUPACN-ethyl-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]-3-morpholin-4-ylpropanamide
SMILESCCN(CC1CCCN(CCc2cccc(F)c2)C1)C(=O)CCN1CCOCC1
InChIInChI=1S/C23H36FN3O2/c1-2-27(23(28)9-12-25-13-15-29-16-14-25)19-21-6-4-10-26(18-21)11-8-20-5-3-7-22(24)17-20/h3,5,7,17,21H,2,4,6,8-16,18-19H2,1H3
InChIKeyPLRHHYXHZIVTNV-UHFFFAOYSA-N
MW405.56 g/mol
LogP2.65
Rot. Bonds9

About N-ethyl-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]-3-morpholin-4-ylpropanamide

N-ethyl-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]-3-morpholin-4-ylpropanamide (PubChem CID 45216467) has the molecular formula C23H36FN3O2 and a molecular weight of 405.56 g/mol. Its IUPAC name is N-ethyl-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]-3-morpholin-4-ylpropanamide.

Molecular Properties

Compound NameN-ethyl-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]-3-morpholin-4-ylpropanamide
PubChem CID45216467
Molecular FormulaC23H36FN3O2
Molecular Weight405.56 g/mol
Exact Mass405.28
IUPAC NameN-ethyl-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]-3-morpholin-4-ylpropanamide
SMILESCCN(CC1CCCN(CCc2cccc(F)c2)C1)C(=O)CCN1CCOCC1
InChIInChI=1S/C23H36FN3O2/c1-2-27(23(28)9-12-25-13-15-29-16-14-25)19-21-6-4-10-26(18-21)11-8-20-5-3-7-22(24)17-20/h3,5,7,17,21H,2,4,6,8-16,18-19H2,1H3
InChIKeyPLRHHYXHZIVTNV-UHFFFAOYSA-N
XLogP2.65
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.56
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]-3-morpholin-4-ylpropanamide?
The IUPAC name of N-ethyl-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]-3-morpholin-4-ylpropanamide (CID 45216467) is N-ethyl-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]-3-morpholin-4-ylpropanamide.
What is the SMILES notation for N-ethyl-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]-3-morpholin-4-ylpropanamide?
The canonical SMILES for N-ethyl-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]-3-morpholin-4-ylpropanamide is CCN(CC1CCCN(CCc2cccc(F)c2)C1)C(=O)CCN1CCOCC1.
What is the InChIKey of N-ethyl-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]-3-morpholin-4-ylpropanamide?
The InChIKey is PLRHHYXHZIVTNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36FN3O2/c1-2-27(23(28)9-12-25-13-15-29-16-14-25)19-21-6-4-10-26(18-21)11-8-20-5-3-7-22(24)17-20/h3,5,7,17,21H,2,4,6,8-16,18-19H2,1H3.
What are the key properties of N-ethyl-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]-3-morpholin-4-ylpropanamide?
N-ethyl-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]-3-morpholin-4-ylpropanamide has a molecular weight of 405.56 g/mol, XLogP of 2.65, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]-3-morpholin-4-ylpropanamide is sourced from PubChem (CID 45216467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).