ethyl 4-[4-[[4-(dimethylamino)benzoyl]amino]piperidin-1-yl]-4-oxobutanoate

C20H29N3O4 — CID 108562813

IUPACethyl 4-[4-[[4-(dimethylamino)benzoyl]amino]piperidin-1-yl]-4-oxobutanoate
SMILESCCOC(=O)CCC(=O)N1CCC(NC(=O)c2ccc(N(C)C)cc2)CC1
InChIInChI=1S/C20H29N3O4/c1-4-27-19(25)10-9-18(24)23-13-11-16(12-14-23)21-20(26)15-5-7-17(8-6-15)22(2)3/h5-8,16H,4,9-14H2,1-3H3,(H,21,26)
InChIKeyXRGPTVTUAGPXBX-UHFFFAOYSA-N
MW375.47 g/mol
LogP1.82
Rot. Bonds7

About ethyl 4-[4-[[4-(dimethylamino)benzoyl]amino]piperidin-1-yl]-4-oxobutanoate

ethyl 4-[4-[[4-(dimethylamino)benzoyl]amino]piperidin-1-yl]-4-oxobutanoate (PubChem CID 108562813) has the molecular formula C20H29N3O4 and a molecular weight of 375.47 g/mol. Its IUPAC name is ethyl 4-[4-[[4-(dimethylamino)benzoyl]amino]piperidin-1-yl]-4-oxobutanoate.

Molecular Properties

Compound Nameethyl 4-[4-[[4-(dimethylamino)benzoyl]amino]piperidin-1-yl]-4-oxobutanoate
PubChem CID108562813
Molecular FormulaC20H29N3O4
Molecular Weight375.47 g/mol
Exact Mass375.22
IUPAC Nameethyl 4-[4-[[4-(dimethylamino)benzoyl]amino]piperidin-1-yl]-4-oxobutanoate
SMILESCCOC(=O)CCC(=O)N1CCC(NC(=O)c2ccc(N(C)C)cc2)CC1
InChIInChI=1S/C20H29N3O4/c1-4-27-19(25)10-9-18(24)23-13-11-16(12-14-23)21-20(26)15-5-7-17(8-6-15)22(2)3/h5-8,16H,4,9-14H2,1-3H3,(H,21,26)
InChIKeyXRGPTVTUAGPXBX-UHFFFAOYSA-N
XLogP1.82
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]amino]-4-oxobutanoate
CID 108567069
ethyl 1-[4-[2-[4-(dimethylamino)benzoyl]hydrazinyl]-4-oxobutanoyl]piperidine-4-carboxylate
CID 4996073
ethyl 4-oxo-4-[4-[(3,4,5-trihydroxybenzoyl)amino]piperidin-1-yl]butanoate
CID 108560175
N-[1-(2-cyanoacetyl)piperidin-4-yl]-4-(dimethylamino)benzamide
CID 108557889
ethyl 4-[[4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]benzoyl]amino]piperidine-1-carboxylate
CID 24644255
N-[1-[3-(3,4-dimethoxyphenyl)propanoyl]piperidin-4-yl]-4-(dimethylamino)benzamide
CID 108557972
2-methylpropyl 4-[[4-(dimethylamino)benzoyl]amino]piperidine-1-carboxylate
CID 108562819
4-(dimethylamino)-N-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]benzamide
CID 108557918
ethyl 4-oxo-4-[4-(pyridine-2-carbonylamino)piperidin-1-yl]butanoate
CID 108562777
4-(dimethylamino)-N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]benzamide
CID 108557983
ethyl 4-[4-[(2,2-diphenylacetyl)amino]piperidin-1-yl]-4-oxobutanoate
CID 108559440
ethyl 4-[3-[4-(dimethylamino)anilino]propanoylamino]piperidine-1-carboxylate
CID 109028878

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[4-[[4-(dimethylamino)benzoyl]amino]piperidin-1-yl]-4-oxobutanoate?
The IUPAC name of ethyl 4-[4-[[4-(dimethylamino)benzoyl]amino]piperidin-1-yl]-4-oxobutanoate (CID 108562813) is ethyl 4-[4-[[4-(dimethylamino)benzoyl]amino]piperidin-1-yl]-4-oxobutanoate.
What is the SMILES notation for ethyl 4-[4-[[4-(dimethylamino)benzoyl]amino]piperidin-1-yl]-4-oxobutanoate?
The canonical SMILES for ethyl 4-[4-[[4-(dimethylamino)benzoyl]amino]piperidin-1-yl]-4-oxobutanoate is CCOC(=O)CCC(=O)N1CCC(NC(=O)c2ccc(N(C)C)cc2)CC1.
What is the InChIKey of ethyl 4-[4-[[4-(dimethylamino)benzoyl]amino]piperidin-1-yl]-4-oxobutanoate?
The InChIKey is XRGPTVTUAGPXBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O4/c1-4-27-19(25)10-9-18(24)23-13-11-16(12-14-23)21-20(26)15-5-7-17(8-6-15)22(2)3/h5-8,16H,4,9-14H2,1-3H3,(H,21,26).
What are the key properties of ethyl 4-[4-[[4-(dimethylamino)benzoyl]amino]piperidin-1-yl]-4-oxobutanoate?
ethyl 4-[4-[[4-(dimethylamino)benzoyl]amino]piperidin-1-yl]-4-oxobutanoate has a molecular weight of 375.47 g/mol, XLogP of 1.82, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[4-[[4-(dimethylamino)benzoyl]amino]piperidin-1-yl]-4-oxobutanoate is sourced from PubChem (CID 108562813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).