(4R)-4-amino-5-[3-[1-[2-(3-ethylphenyl)-3-fluorophenyl]-1-hydroxybutyl]piperidin-1-yl]-5-oxopentanamide

C28H38FN3O3 — CID 173104754

IUPAC(4R)-4-amino-5-[3-[1-[2-(3-ethylphenyl)-3-fluorophenyl]-1-hydroxybutyl]piperidin-1-yl]-5-oxopentanamide
SMILESCCCC(O)(c1cccc(F)c1-c1cccc(CC)c1)C1CCCN(C(=O)[C@H](N)CCC(N)=O)C1
InChIInChI=1S/C28H38FN3O3/c1-3-15-28(35,21-10-7-16-32(18-21)27(34)24(30)13-14-25(31)33)22-11-6-12-23(29)26(22)20-9-5-8-19(4-2)17-20/h5-6,8-9,11-12,17,21,24,35H,3-4,7,10,13-16,18,30H2,1-2H3,(H2,31,33)/t21?,24-,28?/m1/s1
InChIKeyGYABPZYDWJJUGZ-MKNZIIIOSA-N
MW483.63 g/mol
LogP3.87
Rot. Bonds10

About (4R)-4-amino-5-[3-[1-[2-(3-ethylphenyl)-3-fluorophenyl]-1-hydroxybutyl]piperidin-1-yl]-5-oxopentanamide

(4R)-4-amino-5-[3-[1-[2-(3-ethylphenyl)-3-fluorophenyl]-1-hydroxybutyl]piperidin-1-yl]-5-oxopentanamide (PubChem CID 173104754) has the molecular formula C28H38FN3O3 and a molecular weight of 483.63 g/mol. Its IUPAC name is (4R)-4-amino-5-[3-[1-[2-(3-ethylphenyl)-3-fluorophenyl]-1-hydroxybutyl]piperidin-1-yl]-5-oxopentanamide.

Molecular Properties

Compound Name(4R)-4-amino-5-[3-[1-[2-(3-ethylphenyl)-3-fluorophenyl]-1-hydroxybutyl]piperidin-1-yl]-5-oxopentanamide
PubChem CID173104754
Molecular FormulaC28H38FN3O3
Molecular Weight483.63 g/mol
Exact Mass483.29
IUPAC Name(4R)-4-amino-5-[3-[1-[2-(3-ethylphenyl)-3-fluorophenyl]-1-hydroxybutyl]piperidin-1-yl]-5-oxopentanamide
SMILESCCCC(O)(c1cccc(F)c1-c1cccc(CC)c1)C1CCCN(C(=O)[C@H](N)CCC(N)=O)C1
InChIInChI=1S/C28H38FN3O3/c1-3-15-28(35,21-10-7-16-32(18-21)27(34)24(30)13-14-25(31)33)22-11-6-12-23(29)26(22)20-9-5-8-19(4-2)17-20/h5-6,8-9,11-12,17,21,24,35H,3-4,7,10,13-16,18,30H2,1-2H3,(H2,31,33)/t21?,24-,28?/m1/s1
InChIKeyGYABPZYDWJJUGZ-MKNZIIIOSA-N
XLogP3.87
TPSA109.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.63
LogP ≤ 53.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-amino-5-[3-[1-[2-(3-ethylphenyl)-3-fluorophenyl]-1-hydroxybutyl]piperidin-1-yl]-5-oxopentanamide?
The IUPAC name of (4R)-4-amino-5-[3-[1-[2-(3-ethylphenyl)-3-fluorophenyl]-1-hydroxybutyl]piperidin-1-yl]-5-oxopentanamide (CID 173104754) is (4R)-4-amino-5-[3-[1-[2-(3-ethylphenyl)-3-fluorophenyl]-1-hydroxybutyl]piperidin-1-yl]-5-oxopentanamide.
What is the SMILES notation for (4R)-4-amino-5-[3-[1-[2-(3-ethylphenyl)-3-fluorophenyl]-1-hydroxybutyl]piperidin-1-yl]-5-oxopentanamide?
The canonical SMILES for (4R)-4-amino-5-[3-[1-[2-(3-ethylphenyl)-3-fluorophenyl]-1-hydroxybutyl]piperidin-1-yl]-5-oxopentanamide is CCCC(O)(c1cccc(F)c1-c1cccc(CC)c1)C1CCCN(C(=O)[C@H](N)CCC(N)=O)C1.
What is the InChIKey of (4R)-4-amino-5-[3-[1-[2-(3-ethylphenyl)-3-fluorophenyl]-1-hydroxybutyl]piperidin-1-yl]-5-oxopentanamide?
The InChIKey is GYABPZYDWJJUGZ-MKNZIIIOSA-N. The full InChI is InChI=1S/C28H38FN3O3/c1-3-15-28(35,21-10-7-16-32(18-21)27(34)24(30)13-14-25(31)33)22-11-6-12-23(29)26(22)20-9-5-8-19(4-2)17-20/h5-6,8-9,11-12,17,21,24,35H,3-4,7,10,13-16,18,30H2,1-2H3,(H2,31,33)/t21?,24-,28?/m1/s1.
What are the key properties of (4R)-4-amino-5-[3-[1-[2-(3-ethylphenyl)-3-fluorophenyl]-1-hydroxybutyl]piperidin-1-yl]-5-oxopentanamide?
(4R)-4-amino-5-[3-[1-[2-(3-ethylphenyl)-3-fluorophenyl]-1-hydroxybutyl]piperidin-1-yl]-5-oxopentanamide has a molecular weight of 483.63 g/mol, XLogP of 3.87, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-amino-5-[3-[1-[2-(3-ethylphenyl)-3-fluorophenyl]-1-hydroxybutyl]piperidin-1-yl]-5-oxopentanamide is sourced from PubChem (CID 173104754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).