ethyl 4-methyl-2-[[4-(4-oxopiperidin-1-yl)benzoyl]amino]pentanoate

C20H28N2O4 — CID 85189307

IUPACethyl 4-methyl-2-[[4-(4-oxopiperidin-1-yl)benzoyl]amino]pentanoate
SMILESCCOC(=O)C(CC(C)C)NC(=O)c1ccc(N2CCC(=O)CC2)cc1
InChIInChI=1S/C20H28N2O4/c1-4-26-20(25)18(13-14(2)3)21-19(24)15-5-7-16(8-6-15)22-11-9-17(23)10-12-22/h5-8,14,18H,4,9-13H2,1-3H3,(H,21,24)
InChIKeyGLQGRFSUXDUCKX-UHFFFAOYSA-N
MW360.45 g/mol
LogP2.56
Rot. Bonds7

About ethyl 4-methyl-2-[[4-(4-oxopiperidin-1-yl)benzoyl]amino]pentanoate

ethyl 4-methyl-2-[[4-(4-oxopiperidin-1-yl)benzoyl]amino]pentanoate (PubChem CID 85189307) has the molecular formula C20H28N2O4 and a molecular weight of 360.45 g/mol. Its IUPAC name is ethyl 4-methyl-2-[[4-(4-oxopiperidin-1-yl)benzoyl]amino]pentanoate.

Molecular Properties

Compound Nameethyl 4-methyl-2-[[4-(4-oxopiperidin-1-yl)benzoyl]amino]pentanoate
PubChem CID85189307
Molecular FormulaC20H28N2O4
Molecular Weight360.45 g/mol
Exact Mass360.20
IUPAC Nameethyl 4-methyl-2-[[4-(4-oxopiperidin-1-yl)benzoyl]amino]pentanoate
SMILESCCOC(=O)C(CC(C)C)NC(=O)c1ccc(N2CCC(=O)CC2)cc1
InChIInChI=1S/C20H28N2O4/c1-4-26-20(25)18(13-14(2)3)21-19(24)15-5-7-16(8-6-15)22-11-9-17(23)10-12-22/h5-8,14,18H,4,9-13H2,1-3H3,(H,21,24)
InChIKeyGLQGRFSUXDUCKX-UHFFFAOYSA-N
XLogP2.56
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-benzamido-4-methylpentanoate
CID 12773376
ethyl (2S)-2-[(4-butoxybenzoyl)amino]-4-methylpentanoate
CID 54314301
pentadecyl 4-methyl-2-[(4-methylbenzoyl)amino]pentanoate
CID 91710762
(2R)-4-methyl-2-[[4-(4-propan-2-ylpiperazin-1-yl)benzoyl]amino]pentanoic acid
CID 119363797
1-[4-(2-aminopropanoyl)phenyl]piperidin-4-one
CID 83972010
N-[4-methyl-1-[[(2R,3S)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxopentan-2-yl]-4-pyrrolidin-1-ylbenzamide
CID 91339852
N-[1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]-4-(4-methylpiperazin-1-yl)benzamide
CID 18186666
1-(4-propanoylphenyl)piperidin-4-one
CID 83779934
ethyl (2S)-4-methyl-2-[[4-(2-pyridin-3-ylethyl)benzoyl]amino]pentanoate
CID 22866408
N-[1-[4-(2-amino-3-methylpentanoyl)-6-oxo-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]-4-methyl-1-oxopentan-2-yl]-4-morpholin-4-ylbenzamide
CID 68888994
ethyl 4-[4,8,11-tris(4-ethoxycarbonylphenyl)-1,4,8,11-tetrazacyclotetradec-1-yl]benzoate
CID 134540950
N-[4-methyl-1-[[(2R,3S)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxopentan-2-yl]-4-morpholin-4-ylbenzamide
CID 91442080

Frequently Asked Questions

What is the IUPAC name of ethyl 4-methyl-2-[[4-(4-oxopiperidin-1-yl)benzoyl]amino]pentanoate?
The IUPAC name of ethyl 4-methyl-2-[[4-(4-oxopiperidin-1-yl)benzoyl]amino]pentanoate (CID 85189307) is ethyl 4-methyl-2-[[4-(4-oxopiperidin-1-yl)benzoyl]amino]pentanoate.
What is the SMILES notation for ethyl 4-methyl-2-[[4-(4-oxopiperidin-1-yl)benzoyl]amino]pentanoate?
The canonical SMILES for ethyl 4-methyl-2-[[4-(4-oxopiperidin-1-yl)benzoyl]amino]pentanoate is CCOC(=O)C(CC(C)C)NC(=O)c1ccc(N2CCC(=O)CC2)cc1.
What is the InChIKey of ethyl 4-methyl-2-[[4-(4-oxopiperidin-1-yl)benzoyl]amino]pentanoate?
The InChIKey is GLQGRFSUXDUCKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O4/c1-4-26-20(25)18(13-14(2)3)21-19(24)15-5-7-16(8-6-15)22-11-9-17(23)10-12-22/h5-8,14,18H,4,9-13H2,1-3H3,(H,21,24).
What are the key properties of ethyl 4-methyl-2-[[4-(4-oxopiperidin-1-yl)benzoyl]amino]pentanoate?
ethyl 4-methyl-2-[[4-(4-oxopiperidin-1-yl)benzoyl]amino]pentanoate has a molecular weight of 360.45 g/mol, XLogP of 2.56, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methyl-2-[[4-(4-oxopiperidin-1-yl)benzoyl]amino]pentanoate is sourced from PubChem (CID 85189307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).