methyl 2-[[3-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]benzoyl]amino]acetate

C19H26N4O5 — CID 55779526

IUPACmethyl 2-[[3-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]benzoyl]amino]acetate
SMILESCOC(=O)CNC(=O)c1cccc(NC(=O)C2CCN(C(=O)N(C)C)CC2)c1
InChIInChI=1S/C19H26N4O5/c1-22(2)19(27)23-9-7-13(8-10-23)18(26)21-15-6-4-5-14(11-15)17(25)20-12-16(24)28-3/h4-6,11,13H,7-10,12H2,1-3H3,(H,20,25)(H,21,26)
InChIKeyWQZIOPNUOJIQON-UHFFFAOYSA-N
MW390.44 g/mol
LogP0.92
Rot. Bonds5

About methyl 2-[[3-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]benzoyl]amino]acetate

methyl 2-[[3-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]benzoyl]amino]acetate (PubChem CID 55779526) has the molecular formula C19H26N4O5 and a molecular weight of 390.44 g/mol. Its IUPAC name is methyl 2-[[3-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]benzoyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[3-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]benzoyl]amino]acetate
PubChem CID55779526
Molecular FormulaC19H26N4O5
Molecular Weight390.44 g/mol
Exact Mass390.19
IUPAC Namemethyl 2-[[3-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]benzoyl]amino]acetate
SMILESCOC(=O)CNC(=O)c1cccc(NC(=O)C2CCN(C(=O)N(C)C)CC2)c1
InChIInChI=1S/C19H26N4O5/c1-22(2)19(27)23-9-7-13(8-10-23)18(26)21-15-6-4-5-14(11-15)17(25)20-12-16(24)28-3/h4-6,11,13H,7-10,12H2,1-3H3,(H,20,25)(H,21,26)
InChIKeyWQZIOPNUOJIQON-UHFFFAOYSA-N
XLogP0.92
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 2-[[3-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]benzoyl]amino]acetate with MolForge

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Related Compounds

methyl 2-[[3-[[(2S)-1-benzylazetidine-2-carbonyl]amino]benzoyl]amino]acetate
CID 96509463
methyl 2-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]acetate
CID 43623309
N-[3-(dimethylcarbamoyl)phenyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 33249573
(3S)-1-N,1-N-dimethyl-3-N-[3-(propan-2-ylcarbamoyl)phenyl]piperidine-1,3-dicarboxamide
CID 51956289
3-(cyclopropanecarbonylamino)-N-(2-methylpropyl)benzamide
CID 40603945
methyl 1-[3-(cyclopropanecarbonylamino)benzoyl]piperidine-4-carboxylate
CID 51153861
methyl 2-[[4-[[1-(furan-2-carbonyl)piperidine-4-carbonyl]amino]benzoyl]amino]acetate
CID 46828250
methyl 2-chloro-5-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]benzoate
CID 55762114
1-[2-[(3-chlorobenzoyl)amino]acetyl]-N-phenylpiperidine-4-carboxamide
CID 55397777
benzyl 2-[[3-(cyclohexanecarbonylamino)benzoyl]amino]acetate
CID 39908237
3-N-[3-(diethylcarbamoyl)phenyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 102556035
3-(cyclohexanecarbonylamino)-N-(2-methoxyethyl)benzamide
CID 17218956

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[3-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]benzoyl]amino]acetate?
The IUPAC name of methyl 2-[[3-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]benzoyl]amino]acetate (CID 55779526) is methyl 2-[[3-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]benzoyl]amino]acetate.
What is the SMILES notation for methyl 2-[[3-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]benzoyl]amino]acetate?
The canonical SMILES for methyl 2-[[3-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]benzoyl]amino]acetate is COC(=O)CNC(=O)c1cccc(NC(=O)C2CCN(C(=O)N(C)C)CC2)c1.
What is the InChIKey of methyl 2-[[3-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]benzoyl]amino]acetate?
The InChIKey is WQZIOPNUOJIQON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O5/c1-22(2)19(27)23-9-7-13(8-10-23)18(26)21-15-6-4-5-14(11-15)17(25)20-12-16(24)28-3/h4-6,11,13H,7-10,12H2,1-3H3,(H,20,25)(H,21,26).
What are the key properties of methyl 2-[[3-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]benzoyl]amino]acetate?
methyl 2-[[3-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]benzoyl]amino]acetate has a molecular weight of 390.44 g/mol, XLogP of 0.92, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[3-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]benzoyl]amino]acetate is sourced from PubChem (CID 55779526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).