methyl (3S)-3-[[(2R)-2-methoxy-2-phenylethyl]carbamoylamino]piperidine-1-carboxylate

C17H25N3O4 — CID 95637616

IUPACmethyl (3S)-3-[[(2R)-2-methoxy-2-phenylethyl]carbamoylamino]piperidine-1-carboxylate
SMILESCOC(=O)N1CCC[C@H](NC(=O)NC[C@H](OC)c2ccccc2)C1
InChIInChI=1S/C17H25N3O4/c1-23-15(13-7-4-3-5-8-13)11-18-16(21)19-14-9-6-10-20(12-14)17(22)24-2/h3-5,7-8,14-15H,6,9-12H2,1-2H3,(H2,18,19,21)/t14-,15-/m0/s1
InChIKeyURMIBAMTLIKBIY-GJZGRUSLSA-N
MW335.40 g/mol
LogP1.90
Rot. Bonds5

About methyl (3S)-3-[[(2R)-2-methoxy-2-phenylethyl]carbamoylamino]piperidine-1-carboxylate

methyl (3S)-3-[[(2R)-2-methoxy-2-phenylethyl]carbamoylamino]piperidine-1-carboxylate (PubChem CID 95637616) has the molecular formula C17H25N3O4 and a molecular weight of 335.40 g/mol. Its IUPAC name is methyl (3S)-3-[[(2R)-2-methoxy-2-phenylethyl]carbamoylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl (3S)-3-[[(2R)-2-methoxy-2-phenylethyl]carbamoylamino]piperidine-1-carboxylate
PubChem CID95637616
Molecular FormulaC17H25N3O4
Molecular Weight335.40 g/mol
Exact Mass335.18
IUPAC Namemethyl (3S)-3-[[(2R)-2-methoxy-2-phenylethyl]carbamoylamino]piperidine-1-carboxylate
SMILESCOC(=O)N1CCC[C@H](NC(=O)NC[C@H](OC)c2ccccc2)C1
InChIInChI=1S/C17H25N3O4/c1-23-15(13-7-4-3-5-8-13)11-18-16(21)19-14-9-6-10-20(12-14)17(22)24-2/h3-5,7-8,14-15H,6,9-12H2,1-2H3,(H2,18,19,21)/t14-,15-/m0/s1
InChIKeyURMIBAMTLIKBIY-GJZGRUSLSA-N
XLogP1.90
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl (3S)-3-[[(2R)-2-methoxy-2-phenylethyl]carbamoylamino]piperidine-1-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

methyl 3-[(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)carbamoylamino]piperidine-1-carboxylate
CID 86937356
methyl (3S)-3-[(4-cyanophenyl)methylcarbamoylamino]piperidine-1-carboxylate
CID 95637606
methyl 3-[(4-ethylcyclohexyl)methylcarbamoylamino]piperidine-1-carboxylate
CID 86882343
tert-butyl N-[1-[N-(2-methoxy-2-phenylethyl)-N'-methylcarbamimidoyl]pyrrolidin-3-yl]carbamate
CID 111729129
1-[(3S)-1-benzoylpiperidin-3-yl]-3-ethylurea
CID 95315387
2-(hydroxymethyl)-N-(2-methoxy-2-phenylethyl)pyrrolidine-1-carboxamide
CID 111427848
1-cyclopentyl-3-(2,2-diphenylethyl)urea
CID 38287341
methyl 3-[[N'-methyl-N-(3-phenylprop-2-ynyl)carbamimidoyl]amino]piperidine-1-carboxylate;hydroiodide
CID 75468529
methyl 3-[[3-(difluoromethoxy)phenyl]carbamoylamino]piperidine-1-carboxylate
CID 56823494
benzyl 3-(methylamino)piperidine-1-carboxylate
CID 45072221
1-[2-(difluoromethoxy)benzoyl]-N-(2-methoxy-2-phenylethyl)piperidine-3-carboxamide
CID 60543823
N-[(2R)-2-methoxy-2-phenylethyl]-4-[(2R)-oxolan-2-yl]piperidine-1-carboxamide
CID 124619395

Frequently Asked Questions

What is the IUPAC name of methyl (3S)-3-[[(2R)-2-methoxy-2-phenylethyl]carbamoylamino]piperidine-1-carboxylate?
The IUPAC name of methyl (3S)-3-[[(2R)-2-methoxy-2-phenylethyl]carbamoylamino]piperidine-1-carboxylate (CID 95637616) is methyl (3S)-3-[[(2R)-2-methoxy-2-phenylethyl]carbamoylamino]piperidine-1-carboxylate.
What is the SMILES notation for methyl (3S)-3-[[(2R)-2-methoxy-2-phenylethyl]carbamoylamino]piperidine-1-carboxylate?
The canonical SMILES for methyl (3S)-3-[[(2R)-2-methoxy-2-phenylethyl]carbamoylamino]piperidine-1-carboxylate is COC(=O)N1CCC[C@H](NC(=O)NC[C@H](OC)c2ccccc2)C1.
What is the InChIKey of methyl (3S)-3-[[(2R)-2-methoxy-2-phenylethyl]carbamoylamino]piperidine-1-carboxylate?
The InChIKey is URMIBAMTLIKBIY-GJZGRUSLSA-N. The full InChI is InChI=1S/C17H25N3O4/c1-23-15(13-7-4-3-5-8-13)11-18-16(21)19-14-9-6-10-20(12-14)17(22)24-2/h3-5,7-8,14-15H,6,9-12H2,1-2H3,(H2,18,19,21)/t14-,15-/m0/s1.
What are the key properties of methyl (3S)-3-[[(2R)-2-methoxy-2-phenylethyl]carbamoylamino]piperidine-1-carboxylate?
methyl (3S)-3-[[(2R)-2-methoxy-2-phenylethyl]carbamoylamino]piperidine-1-carboxylate has a molecular weight of 335.40 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S)-3-[[(2R)-2-methoxy-2-phenylethyl]carbamoylamino]piperidine-1-carboxylate is sourced from PubChem (CID 95637616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).