[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate

C24H28N2O5 — CID 8790334

IUPAC[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate
SMILESC[C@@H]1C[C@H](C)CN(C(=O)COC(=O)CNC(=O)c2ccc(Oc3ccccc3)cc2)C1
InChIInChI=1S/C24H28N2O5/c1-17-12-18(2)15-26(14-17)22(27)16-30-23(28)13-25-24(29)19-8-10-21(11-9-19)31-20-6-4-3-5-7-20/h3-11,17-18H,12-16H2,1-2H3,(H,25,29)/t17-,18+
InChIKeyJBFRBWPBMZRLFY-HDICACEKSA-N
MW424.50 g/mol
LogP3.26
Rot. Bonds7

About [2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate

[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate (PubChem CID 8790334) has the molecular formula C24H28N2O5 and a molecular weight of 424.50 g/mol. Its IUPAC name is [2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate
PubChem CID8790334
Molecular FormulaC24H28N2O5
Molecular Weight424.50 g/mol
Exact Mass424.20
IUPAC Name[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate
SMILESC[C@@H]1C[C@H](C)CN(C(=O)COC(=O)CNC(=O)c2ccc(Oc3ccccc3)cc2)C1
InChIInChI=1S/C24H28N2O5/c1-17-12-18(2)15-26(14-17)22(27)16-30-23(28)13-25-24(29)19-8-10-21(11-9-19)31-20-6-4-3-5-7-20/h3-11,17-18H,12-16H2,1-2H3,(H,25,29)/t17-,18+
InChIKeyJBFRBWPBMZRLFY-HDICACEKSA-N
XLogP3.26
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate with MolForge

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Related Compounds

[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 2-[(4-tert-butylbenzoyl)amino]acetate
CID 42901502
(2-oxo-2-pyrrolidin-1-ylethyl) 2-[(4-phenoxybenzoyl)amino]acetate
CID 8790353
[2-(azocan-1-yl)-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate
CID 9348238
[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 2-[[4-(trifluoromethyl)benzoyl]amino]acetate
CID 7880537
[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate
CID 8790284
[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-[(4-phenoxybenzoyl)amino]acetate
CID 8790295
[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate
CID 8788846
[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate
CID 7899432
[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 2-(4-benzoylphenoxy)acetate
CID 7839656
[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 2-[(2-naphthalen-1-ylacetyl)amino]acetate
CID 8574009
[2-(cyclopropylamino)-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate
CID 40703234
(2-oxo-2-pyrrolidin-1-ylethyl) 2-[(4-phenylbenzoyl)amino]acetate
CID 2417351

Frequently Asked Questions

What is the IUPAC name of [2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate?
The IUPAC name of [2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate (CID 8790334) is [2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate.
What is the SMILES notation for [2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate?
The canonical SMILES for [2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate is C[C@@H]1C[C@H](C)CN(C(=O)COC(=O)CNC(=O)c2ccc(Oc3ccccc3)cc2)C1.
What is the InChIKey of [2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate?
The InChIKey is JBFRBWPBMZRLFY-HDICACEKSA-N. The full InChI is InChI=1S/C24H28N2O5/c1-17-12-18(2)15-26(14-17)22(27)16-30-23(28)13-25-24(29)19-8-10-21(11-9-19)31-20-6-4-3-5-7-20/h3-11,17-18H,12-16H2,1-2H3,(H,25,29)/t17-,18+.
What are the key properties of [2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate?
[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate has a molecular weight of 424.50 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate is sourced from PubChem (CID 8790334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).