[2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-[(2-naphthalen-1-ylacetyl)amino]acetate

C22H25N3O5 — CID 9070858

IUPAC[2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-[(2-naphthalen-1-ylacetyl)amino]acetate
SMILESNC(=O)[C@H]1CCCCN1C(=O)COC(=O)CNC(=O)Cc1cccc2ccccc12
InChIInChI=1S/C22H25N3O5/c23-22(29)18-10-3-4-11-25(18)20(27)14-30-21(28)13-24-19(26)12-16-8-5-7-15-6-1-2-9-17(15)16/h1-2,5-9,18H,3-4,10-14H2,(H2,23,29)(H,24,26)/t18-/m1/s1
InChIKeyOTHVNHCATBKFDM-GOSISDBHSA-N
MW411.46 g/mol
LogP0.91
Rot. Bonds7

About [2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-[(2-naphthalen-1-ylacetyl)amino]acetate

[2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-[(2-naphthalen-1-ylacetyl)amino]acetate (PubChem CID 9070858) has the molecular formula C22H25N3O5 and a molecular weight of 411.46 g/mol. Its IUPAC name is [2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-[(2-naphthalen-1-ylacetyl)amino]acetate.

Molecular Properties

Compound Name[2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-[(2-naphthalen-1-ylacetyl)amino]acetate
PubChem CID9070858
Molecular FormulaC22H25N3O5
Molecular Weight411.46 g/mol
Exact Mass411.18
IUPAC Name[2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-[(2-naphthalen-1-ylacetyl)amino]acetate
SMILESNC(=O)[C@H]1CCCCN1C(=O)COC(=O)CNC(=O)Cc1cccc2ccccc12
InChIInChI=1S/C22H25N3O5/c23-22(29)18-10-3-4-11-25(18)20(27)14-30-21(28)13-24-19(26)12-16-8-5-7-15-6-1-2-9-17(15)16/h1-2,5-9,18H,3-4,10-14H2,(H2,23,29)(H,24,26)/t18-/m1/s1
InChIKeyOTHVNHCATBKFDM-GOSISDBHSA-N
XLogP0.91
TPSA118.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(azepan-1-yl)-2-oxoethyl] 2-[(2-naphthalen-1-ylacetyl)amino]acetate
CID 8574012
[2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate
CID 9492409
(2R)-1-[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]pyrrolidine-2-carboxylic acid
CID 119371080
[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 2-[(2-naphthalen-1-ylacetyl)amino]acetate
CID 8574009
[2-(cyclopropylamino)-2-oxoethyl] 2-[(2-naphthalen-1-ylacetyl)amino]acetate
CID 8574122
[2-[(2S)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate
CID 9200644
[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-[(2-naphthalen-1-ylacetyl)amino]acetate
CID 8573655
[2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-(4-phenylphenyl)acetate
CID 9019324
1-(2-naphthalen-1-ylacetyl)piperidine-2-carboxylic acid
CID 43822910
N-[2-(azepan-1-yl)-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 7964073
[2-(1-adamantyl)-2-oxoethyl] 2-[(2-naphthalen-1-ylacetyl)amino]acetate
CID 8573277
[2-[(2S)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate
CID 9200420

Frequently Asked Questions

What is the IUPAC name of [2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-[(2-naphthalen-1-ylacetyl)amino]acetate?
The IUPAC name of [2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-[(2-naphthalen-1-ylacetyl)amino]acetate (CID 9070858) is [2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-[(2-naphthalen-1-ylacetyl)amino]acetate.
What is the SMILES notation for [2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-[(2-naphthalen-1-ylacetyl)amino]acetate?
The canonical SMILES for [2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-[(2-naphthalen-1-ylacetyl)amino]acetate is NC(=O)[C@H]1CCCCN1C(=O)COC(=O)CNC(=O)Cc1cccc2ccccc12.
What is the InChIKey of [2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-[(2-naphthalen-1-ylacetyl)amino]acetate?
The InChIKey is OTHVNHCATBKFDM-GOSISDBHSA-N. The full InChI is InChI=1S/C22H25N3O5/c23-22(29)18-10-3-4-11-25(18)20(27)14-30-21(28)13-24-19(26)12-16-8-5-7-15-6-1-2-9-17(15)16/h1-2,5-9,18H,3-4,10-14H2,(H2,23,29)(H,24,26)/t18-/m1/s1.
What are the key properties of [2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-[(2-naphthalen-1-ylacetyl)amino]acetate?
[2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-[(2-naphthalen-1-ylacetyl)amino]acetate has a molecular weight of 411.46 g/mol, XLogP of 0.91, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-[(2-naphthalen-1-ylacetyl)amino]acetate is sourced from PubChem (CID 9070858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).