ethyl 1-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]piperidine-4-carboxylate

C20H30N2O4 — CID 121443369

IUPACethyl 1-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2ccc(CNC(=O)OC(C)(C)C)cc2)CC1
InChIInChI=1S/C20H30N2O4/c1-5-25-18(23)16-10-12-22(13-11-16)17-8-6-15(7-9-17)14-21-19(24)26-20(2,3)4/h6-9,16H,5,10-14H2,1-4H3,(H,21,24)
InChIKeyGWEWIHLMWKGRJX-UHFFFAOYSA-N
MW362.47 g/mol
LogP3.49
Rot. Bonds5

About ethyl 1-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]piperidine-4-carboxylate

ethyl 1-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]piperidine-4-carboxylate (PubChem CID 121443369) has the molecular formula C20H30N2O4 and a molecular weight of 362.47 g/mol. Its IUPAC name is ethyl 1-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]piperidine-4-carboxylate
PubChem CID121443369
Molecular FormulaC20H30N2O4
Molecular Weight362.47 g/mol
Exact Mass362.22
IUPAC Nameethyl 1-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2ccc(CNC(=O)OC(C)(C)C)cc2)CC1
InChIInChI=1S/C20H30N2O4/c1-5-25-18(23)16-10-12-22(13-11-16)17-8-6-15(7-9-17)14-21-19(24)26-20(2,3)4/h6-9,16H,5,10-14H2,1-4H3,(H,21,24)
InChIKeyGWEWIHLMWKGRJX-UHFFFAOYSA-N
XLogP3.49
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze ethyl 1-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]piperidine-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[[1-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]piperidin-4-yl]methyl]carbamate
CID 175619946
tert-butyl N-[[4-[4-[4-(trifluoromethoxy)benzoyl]piperidin-1-yl]phenyl]methyl]carbamate
CID 123278626
tert-butyl N-[[4-(2-methylmorpholin-4-yl)phenyl]methyl]carbamate
CID 139523201
ethyl 1-[4-(7-tert-butylsulfonylheptyl)phenyl]piperidine-4-carboxylate
CID 59546376
tert-butyl N-[[4-[[1-(4-chlorophenyl)pyrrolidin-3-yl]carbamoyl]phenyl]methyl]carbamate
CID 166200909
tert-butyl 1-(4-hydroxyphenyl)piperidine-4-carboxylate
CID 69482474
ethyl 1-[4-[[(7-amino-2-ethylimidazo[1,2-a]pyridine-3-carbonyl)amino]methyl]phenyl]piperidine-4-carboxylate
CID 123431310
tert-butyl N-[3-oxo-3-[(4-thiomorpholin-4-ylphenyl)methylamino]propyl]carbamate
CID 47059291
tert-butyl N-[[1-[[1-(4-aminophenyl)piperidin-4-yl]methyl]piperidin-4-yl]methyl]carbamate
CID 171652249
tert-butyl N-[[4-[methyl-[(4-morpholin-4-ylphenyl)methyl]carbamoyl]phenyl]methyl]carbamate
CID 24516703
tert-butyl 1-(4-methoxycarbonylphenyl)piperidine-4-carboxylate
CID 146819041
tert-butyl N-[2-[1-(4-bromophenyl)piperidin-4-yl]ethyl]carbamate
CID 86661351

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]piperidine-4-carboxylate (CID 121443369) is ethyl 1-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(c2ccc(CNC(=O)OC(C)(C)C)cc2)CC1.
What is the InChIKey of ethyl 1-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]piperidine-4-carboxylate?
The InChIKey is GWEWIHLMWKGRJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O4/c1-5-25-18(23)16-10-12-22(13-11-16)17-8-6-15(7-9-17)14-21-19(24)26-20(2,3)4/h6-9,16H,5,10-14H2,1-4H3,(H,21,24).
What are the key properties of ethyl 1-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]piperidine-4-carboxylate?
ethyl 1-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]piperidine-4-carboxylate has a molecular weight of 362.47 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]piperidine-4-carboxylate is sourced from PubChem (CID 121443369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).