methyl 2-[(2R)-1-[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]piperidin-2-yl]acetate

C20H27N3O4 — CID 51965662

IUPACmethyl 2-[(2R)-1-[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]piperidin-2-yl]acetate
SMILESCOC(=O)C[C@H]1CCCCN1CC(=O)Nc1ccccc1C(=O)NC1CC1
InChIInChI=1S/C20H27N3O4/c1-27-19(25)12-15-6-4-5-11-23(15)13-18(24)22-17-8-3-2-7-16(17)20(26)21-14-9-10-14/h2-3,7-8,14-15H,4-6,9-13H2,1H3,(H,21,26)(H,22,24)/t15-/m1/s1
InChIKeyHGGDEEAZEORMMH-OAHLLOKOSA-N
MW373.45 g/mol
LogP1.93
Rot. Bonds7

About methyl 2-[(2R)-1-[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]piperidin-2-yl]acetate

methyl 2-[(2R)-1-[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]piperidin-2-yl]acetate (PubChem CID 51965662) has the molecular formula C20H27N3O4 and a molecular weight of 373.45 g/mol. Its IUPAC name is methyl 2-[(2R)-1-[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]piperidin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(2R)-1-[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]piperidin-2-yl]acetate
PubChem CID51965662
Molecular FormulaC20H27N3O4
Molecular Weight373.45 g/mol
Exact Mass373.20
IUPAC Namemethyl 2-[(2R)-1-[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]piperidin-2-yl]acetate
SMILESCOC(=O)C[C@H]1CCCCN1CC(=O)Nc1ccccc1C(=O)NC1CC1
InChIInChI=1S/C20H27N3O4/c1-27-19(25)12-15-6-4-5-11-23(15)13-18(24)22-17-8-3-2-7-16(17)20(26)21-14-9-10-14/h2-3,7-8,14-15H,4-6,9-13H2,1H3,(H,21,26)(H,22,24)/t15-/m1/s1
InChIKeyHGGDEEAZEORMMH-OAHLLOKOSA-N
XLogP1.93
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-2-[[2-(2-ethylpiperidin-1-yl)acetyl]amino]benzamide
CID 46800658
N-cyclopropyl-2-[[2-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]acetyl]amino]benzamide
CID 9292689
N-cyclopentyl-2-[[2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]acetyl]amino]benzamide
CID 46615258
methyl 2-[1-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]piperidin-2-yl]acetate
CID 47060322
methyl 2-[1-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]piperidin-2-yl]acetate
CID 60524285
2-[(2-cyclohexylacetyl)amino]-N-cyclopropylbenzamide
CID 34280929
N-cyclopentyl-2-[[2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]acetyl]amino]benzamide
CID 9166376
methyl 2-[1-[2-(methylamino)-2-oxoethyl]piperidin-2-yl]acetate
CID 62028286
1-[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide
CID 8530807
N-cyclopentyl-2-[(2-methylsulfanylacetyl)amino]benzamide
CID 26084225
N-cyclopropyl-2-[(2-morpholin-4-ylacetyl)amino]benzamide
CID 2697520
2-[3-(azocan-1-yl)propanoylamino]-N-cyclopropylbenzamide
CID 24588779

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2R)-1-[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]piperidin-2-yl]acetate?
The IUPAC name of methyl 2-[(2R)-1-[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]piperidin-2-yl]acetate (CID 51965662) is methyl 2-[(2R)-1-[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]piperidin-2-yl]acetate.
What is the SMILES notation for methyl 2-[(2R)-1-[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]piperidin-2-yl]acetate?
The canonical SMILES for methyl 2-[(2R)-1-[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]piperidin-2-yl]acetate is COC(=O)C[C@H]1CCCCN1CC(=O)Nc1ccccc1C(=O)NC1CC1.
What is the InChIKey of methyl 2-[(2R)-1-[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]piperidin-2-yl]acetate?
The InChIKey is HGGDEEAZEORMMH-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H27N3O4/c1-27-19(25)12-15-6-4-5-11-23(15)13-18(24)22-17-8-3-2-7-16(17)20(26)21-14-9-10-14/h2-3,7-8,14-15H,4-6,9-13H2,1H3,(H,21,26)(H,22,24)/t15-/m1/s1.
What are the key properties of methyl 2-[(2R)-1-[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]piperidin-2-yl]acetate?
methyl 2-[(2R)-1-[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]piperidin-2-yl]acetate has a molecular weight of 373.45 g/mol, XLogP of 1.93, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2R)-1-[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]piperidin-2-yl]acetate is sourced from PubChem (CID 51965662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).