ethyl 1-[4-[[2-(2-methoxyethylamino)acetyl]amino]benzoyl]piperidine-4-carboxylate

C20H29N3O5 — CID 119797301

IUPACethyl 1-[4-[[2-(2-methoxyethylamino)acetyl]amino]benzoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2ccc(NC(=O)CNCCOC)cc2)CC1
InChIInChI=1S/C20H29N3O5/c1-3-28-20(26)16-8-11-23(12-9-16)19(25)15-4-6-17(7-5-15)22-18(24)14-21-10-13-27-2/h4-7,16,21H,3,8-14H2,1-2H3,(H,22,24)
InChIKeyHMYHPGPLJIDQFY-UHFFFAOYSA-N
MW391.47 g/mol
LogP1.28
Rot. Bonds9

About ethyl 1-[4-[[2-(2-methoxyethylamino)acetyl]amino]benzoyl]piperidine-4-carboxylate

ethyl 1-[4-[[2-(2-methoxyethylamino)acetyl]amino]benzoyl]piperidine-4-carboxylate (PubChem CID 119797301) has the molecular formula C20H29N3O5 and a molecular weight of 391.47 g/mol. Its IUPAC name is ethyl 1-[4-[[2-(2-methoxyethylamino)acetyl]amino]benzoyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[4-[[2-(2-methoxyethylamino)acetyl]amino]benzoyl]piperidine-4-carboxylate
PubChem CID119797301
Molecular FormulaC20H29N3O5
Molecular Weight391.47 g/mol
Exact Mass391.21
IUPAC Nameethyl 1-[4-[[2-(2-methoxyethylamino)acetyl]amino]benzoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2ccc(NC(=O)CNCCOC)cc2)CC1
InChIInChI=1S/C20H29N3O5/c1-3-28-20(26)16-8-11-23(12-9-16)19(25)15-4-6-17(7-5-15)22-18(24)14-21-10-13-27-2/h4-7,16,21H,3,8-14H2,1-2H3,(H,22,24)
InChIKeyHMYHPGPLJIDQFY-UHFFFAOYSA-N
XLogP1.28
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[4-(butanoylamino)benzoyl]-N-(2-methoxyethyl)piperidine-4-carboxamide
CID 20972958
ethyl 1-[4-(furan-2-carbonylamino)benzoyl]piperidine-4-carboxylate
CID 27555217
N-[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-2-(2-methoxyethylamino)acetamide
CID 119744249
ethyl 4-[[2-(2-methoxyethylamino)acetyl]amino]benzoate;hydrochloride
CID 119672462
ethyl 1-[4-[(3-aminobenzoyl)amino]benzoyl]piperidine-4-carboxylate;hydrochloride
CID 119797292
N-(2-methoxyethyl)-4-[[2-oxo-2-[4-(pyrrolidine-1-carbonyl)anilino]ethyl]amino]benzamide
CID 54835788
ethyl 1-[4-[(3-aminocyclopentanecarbonyl)amino]benzoyl]piperidine-4-carboxylate;hydrochloride
CID 119797282
N-(2-methoxyethyl)-4-[[2-[4-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]amino]benzamide
CID 54836112
2-(butylamino)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 54815489
ethyl 1-[4-(chloromethyl)benzoyl]piperidine-4-carboxylate
CID 43333531
N-[4-[[2-(2-methoxyethylamino)acetyl]amino]phenyl]azepane-1-carboxamide
CID 119761543
N-(3-methoxypropyl)-4-[[2-[4-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]benzamide
CID 54834129

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[4-[[2-(2-methoxyethylamino)acetyl]amino]benzoyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[4-[[2-(2-methoxyethylamino)acetyl]amino]benzoyl]piperidine-4-carboxylate (CID 119797301) is ethyl 1-[4-[[2-(2-methoxyethylamino)acetyl]amino]benzoyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[4-[[2-(2-methoxyethylamino)acetyl]amino]benzoyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[4-[[2-(2-methoxyethylamino)acetyl]amino]benzoyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)c2ccc(NC(=O)CNCCOC)cc2)CC1.
What is the InChIKey of ethyl 1-[4-[[2-(2-methoxyethylamino)acetyl]amino]benzoyl]piperidine-4-carboxylate?
The InChIKey is HMYHPGPLJIDQFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O5/c1-3-28-20(26)16-8-11-23(12-9-16)19(25)15-4-6-17(7-5-15)22-18(24)14-21-10-13-27-2/h4-7,16,21H,3,8-14H2,1-2H3,(H,22,24).
What are the key properties of ethyl 1-[4-[[2-(2-methoxyethylamino)acetyl]amino]benzoyl]piperidine-4-carboxylate?
ethyl 1-[4-[[2-(2-methoxyethylamino)acetyl]amino]benzoyl]piperidine-4-carboxylate has a molecular weight of 391.47 g/mol, XLogP of 1.28, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[4-[[2-(2-methoxyethylamino)acetyl]amino]benzoyl]piperidine-4-carboxylate is sourced from PubChem (CID 119797301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).