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

C16H23N3O3 — CID 110451816

IUPACethyl 4-[[2-(aminomethyl)benzoyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2ccccc2CN)CC1
InChIInChI=1S/C16H23N3O3/c1-2-22-16(21)19-9-7-13(8-10-19)18-15(20)14-6-4-3-5-12(14)11-17/h3-6,13H,2,7-11,17H2,1H3,(H,18,20)
InChIKeyVKKYUZVBUFVTHS-UHFFFAOYSA-N
MW305.38 g/mol
LogP1.50
Rot. Bonds4

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

ethyl 4-[[2-(aminomethyl)benzoyl]amino]piperidine-1-carboxylate (PubChem CID 110451816) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is ethyl 4-[[2-(aminomethyl)benzoyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[2-(aminomethyl)benzoyl]amino]piperidine-1-carboxylate
PubChem CID110451816
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Nameethyl 4-[[2-(aminomethyl)benzoyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2ccccc2CN)CC1
InChIInChI=1S/C16H23N3O3/c1-2-22-16(21)19-9-7-13(8-10-19)18-15(20)14-6-4-3-5-12(14)11-17/h3-6,13H,2,7-11,17H2,1H3,(H,18,20)
InChIKeyVKKYUZVBUFVTHS-UHFFFAOYSA-N
XLogP1.50
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 18120666
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CID 24644255
ethyl 4-[(2-amino-3-fluorobenzoyl)amino]piperidine-1-carboxylate
CID 110451817
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CID 46491359
ethyl 4-[(2-pyrrolidin-3-ylbenzoyl)amino]piperidine-1-carboxylate
CID 56893622
2-(aminomethyl)-N-(1-benzylpiperidin-4-yl)benzamide
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ethyl 4-[3-(2-ethylanilino)propanoylamino]piperidine-1-carboxylate
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2-(aminomethyl)-N-piperidin-4-ylbenzamide
CID 139966518
ethyl 4-[[2-[(4-chlorophenyl)methoxy]benzoyl]amino]piperidine-1-carboxylate
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butyl 4-[(2-fluorobenzoyl)amino]piperidine-1-carboxylate
CID 108559345

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-(aminomethyl)benzoyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[2-(aminomethyl)benzoyl]amino]piperidine-1-carboxylate (CID 110451816) is ethyl 4-[[2-(aminomethyl)benzoyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[2-(aminomethyl)benzoyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[2-(aminomethyl)benzoyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)c2ccccc2CN)CC1.
What is the InChIKey of ethyl 4-[[2-(aminomethyl)benzoyl]amino]piperidine-1-carboxylate?
The InChIKey is VKKYUZVBUFVTHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-2-22-16(21)19-9-7-13(8-10-19)18-15(20)14-6-4-3-5-12(14)11-17/h3-6,13H,2,7-11,17H2,1H3,(H,18,20).
What are the key properties of ethyl 4-[[2-(aminomethyl)benzoyl]amino]piperidine-1-carboxylate?
ethyl 4-[[2-(aminomethyl)benzoyl]amino]piperidine-1-carboxylate has a molecular weight of 305.38 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-(aminomethyl)benzoyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 110451816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).