(2S)-2-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]-N-(2-ethoxyphenyl)-2-phenylacetamide

C28H39N3O3 — CID 52513026

IUPAC(2S)-2-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]-N-(2-ethoxyphenyl)-2-phenylacetamide
SMILESCCOc1ccccc1NC(=O)[C@H](c1ccccc1)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1
InChIInChI=1S/C28H39N3O3/c1-4-33-26-13-9-8-12-25(26)29-28(32)27(24-10-6-5-7-11-24)31-16-14-23(15-17-31)20-30-18-21(2)34-22(3)19-30/h5-13,21-23,27H,4,14-20H2,1-3H3,(H,29,32)/t21-,22+,27-/m0/s1
InChIKeyJVZRARCVOJHXPK-XXAUWVGASA-N
MW465.64 g/mol
LogP4.59
Rot. Bonds8

About (2S)-2-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]-N-(2-ethoxyphenyl)-2-phenylacetamide

(2S)-2-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]-N-(2-ethoxyphenyl)-2-phenylacetamide (PubChem CID 52513026) has the molecular formula C28H39N3O3 and a molecular weight of 465.64 g/mol. Its IUPAC name is (2S)-2-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]-N-(2-ethoxyphenyl)-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-2-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]-N-(2-ethoxyphenyl)-2-phenylacetamide
PubChem CID52513026
Molecular FormulaC28H39N3O3
Molecular Weight465.64 g/mol
Exact Mass465.30
IUPAC Name(2S)-2-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]-N-(2-ethoxyphenyl)-2-phenylacetamide
SMILESCCOc1ccccc1NC(=O)[C@H](c1ccccc1)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1
InChIInChI=1S/C28H39N3O3/c1-4-33-26-13-9-8-12-25(26)29-28(32)27(24-10-6-5-7-11-24)31-16-14-23(15-17-31)20-30-18-21(2)34-22(3)19-30/h5-13,21-23,27H,4,14-20H2,1-3H3,(H,29,32)/t21-,22+,27-/m0/s1
InChIKeyJVZRARCVOJHXPK-XXAUWVGASA-N
XLogP4.59
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.64
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-(2-ethoxyphenyl)-2-(4-hydroxypiperidin-1-yl)-2-phenylacetamide
CID 29440121
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N-(2-ethoxyphenyl)-2-(2-methylmorpholin-4-yl)-2-phenylacetamide
CID 46673898
(2S)-N-(2-ethoxyphenyl)-2-(4-ethylpiperazin-1-yl)-2-phenylacetamide
CID 7928314
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CID 18083515
(2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-(2-ethoxyphenyl)propanamide
CID 9249079
(2R)-N-(2-ethoxyphenyl)-2-[4-[2-(methylamino)-2-oxoethyl]piperazin-1-yl]-2-phenylacetamide
CID 8774504
ethyl (3S)-1-[(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]piperidine-3-carboxylate
CID 51724508
2-(2,6-dimethylmorpholin-4-yl)-N-(2-ethoxyphenyl)acetamide
CID 6470205
(2R)-N-(2-ethoxyphenyl)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-2-phenylacetamide
CID 30629328
2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]-N-(2-ethoxyphenyl)-2-phenylacetamide
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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]-N-(2-ethoxyphenyl)-2-phenylacetamide?
The IUPAC name of (2S)-2-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]-N-(2-ethoxyphenyl)-2-phenylacetamide (CID 52513026) is (2S)-2-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]-N-(2-ethoxyphenyl)-2-phenylacetamide.
What is the SMILES notation for (2S)-2-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]-N-(2-ethoxyphenyl)-2-phenylacetamide?
The canonical SMILES for (2S)-2-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]-N-(2-ethoxyphenyl)-2-phenylacetamide is CCOc1ccccc1NC(=O)[C@H](c1ccccc1)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1.
What is the InChIKey of (2S)-2-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]-N-(2-ethoxyphenyl)-2-phenylacetamide?
The InChIKey is JVZRARCVOJHXPK-XXAUWVGASA-N. The full InChI is InChI=1S/C28H39N3O3/c1-4-33-26-13-9-8-12-25(26)29-28(32)27(24-10-6-5-7-11-24)31-16-14-23(15-17-31)20-30-18-21(2)34-22(3)19-30/h5-13,21-23,27H,4,14-20H2,1-3H3,(H,29,32)/t21-,22+,27-/m0/s1.
What are the key properties of (2S)-2-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]-N-(2-ethoxyphenyl)-2-phenylacetamide?
(2S)-2-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]-N-(2-ethoxyphenyl)-2-phenylacetamide has a molecular weight of 465.64 g/mol, XLogP of 4.59, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]-N-(2-ethoxyphenyl)-2-phenylacetamide is sourced from PubChem (CID 52513026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).