ethyl 3-[(4-methoxycarbonylphenyl)methylamino]piperidine-1-carboxylate

C17H24N2O4 — CID 142212446

IUPACethyl 3-[(4-methoxycarbonylphenyl)methylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCCC(NCc2ccc(C(=O)OC)cc2)C1
InChIInChI=1S/C17H24N2O4/c1-3-23-17(21)19-10-4-5-15(12-19)18-11-13-6-8-14(9-7-13)16(20)22-2/h6-9,15,18H,3-5,10-12H2,1-2H3
InChIKeyCBZZLZKRXQMWEG-UHFFFAOYSA-N
MW320.39 g/mol
LogP2.18
Rot. Bonds5

About ethyl 3-[(4-methoxycarbonylphenyl)methylamino]piperidine-1-carboxylate

ethyl 3-[(4-methoxycarbonylphenyl)methylamino]piperidine-1-carboxylate (PubChem CID 142212446) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is ethyl 3-[(4-methoxycarbonylphenyl)methylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-[(4-methoxycarbonylphenyl)methylamino]piperidine-1-carboxylate
PubChem CID142212446
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Nameethyl 3-[(4-methoxycarbonylphenyl)methylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCCC(NCc2ccc(C(=O)OC)cc2)C1
InChIInChI=1S/C17H24N2O4/c1-3-23-17(21)19-10-4-5-15(12-19)18-11-13-6-8-14(9-7-13)16(20)22-2/h6-9,15,18H,3-5,10-12H2,1-2H3
InChIKeyCBZZLZKRXQMWEG-UHFFFAOYSA-N
XLogP2.18
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[(cyclopropylamino)methyl]benzoate
CID 16784234
ethyl 4-[(4-methoxyphenyl)methylamino]piperidine-1-carboxylate
CID 2846531
methyl 4-[[(3-carbamoylcyclohexyl)amino]methyl]benzoate
CID 75516263
tert-butyl 3-[[4-(carbamothioylamino)phenyl]methylamino]piperidine-1-carboxylate
CID 169357708
ethyl 3-(2,2-dimethylpropylamino)piperidine-1-carboxylate
CID 83995011
1-[3-(benzylamino)piperidin-1-yl]ethanone
CID 83993665
methyl 4-[(oxan-4-ylamino)methyl]benzoate
CID 43609902
tert-butyl 3-[(4-formamidophenyl)methylamino]piperidine-1-carboxylate
CID 168653640
(3R)-3-[(4-chlorophenyl)methylamino]piperidine-1-carboxylic acid
CID 68661601
methyl 4-[[(1,1-dioxothiolan-3-yl)amino]methyl]benzoate
CID 43177605
tert-butyl 3-[[4-(1,2,2-tricyanoethenylamino)phenyl]methylamino]piperidine-1-carboxylate
CID 168608193
tert-butyl 3-[(4-azidophenyl)methylamino]piperidine-1-carboxylate
CID 169325405

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(4-methoxycarbonylphenyl)methylamino]piperidine-1-carboxylate?
The IUPAC name of ethyl 3-[(4-methoxycarbonylphenyl)methylamino]piperidine-1-carboxylate (CID 142212446) is ethyl 3-[(4-methoxycarbonylphenyl)methylamino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 3-[(4-methoxycarbonylphenyl)methylamino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 3-[(4-methoxycarbonylphenyl)methylamino]piperidine-1-carboxylate is CCOC(=O)N1CCCC(NCc2ccc(C(=O)OC)cc2)C1.
What is the InChIKey of ethyl 3-[(4-methoxycarbonylphenyl)methylamino]piperidine-1-carboxylate?
The InChIKey is CBZZLZKRXQMWEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-3-23-17(21)19-10-4-5-15(12-19)18-11-13-6-8-14(9-7-13)16(20)22-2/h6-9,15,18H,3-5,10-12H2,1-2H3.
What are the key properties of ethyl 3-[(4-methoxycarbonylphenyl)methylamino]piperidine-1-carboxylate?
ethyl 3-[(4-methoxycarbonylphenyl)methylamino]piperidine-1-carboxylate has a molecular weight of 320.39 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(4-methoxycarbonylphenyl)methylamino]piperidine-1-carboxylate is sourced from PubChem (CID 142212446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).