tert-butyl (2R)-2-[(4-methoxycarbonylphenyl)methylcarbamoyl]piperidine-1-carboxylate

C20H28N2O5 — CID 98990393

IUPACtert-butyl (2R)-2-[(4-methoxycarbonylphenyl)methylcarbamoyl]piperidine-1-carboxylate
SMILESCOC(=O)c1ccc(CNC(=O)[C@H]2CCCCN2C(=O)OC(C)(C)C)cc1
InChIInChI=1S/C20H28N2O5/c1-20(2,3)27-19(25)22-12-6-5-7-16(22)17(23)21-13-14-8-10-15(11-9-14)18(24)26-4/h8-11,16H,5-7,12-13H2,1-4H3,(H,21,23)/t16-/m1/s1
InChIKeyUYLOZDPEWNGXPS-MRXNPFEDSA-N
MW376.45 g/mol
LogP2.88
Rot. Bonds4

About tert-butyl (2R)-2-[(4-methoxycarbonylphenyl)methylcarbamoyl]piperidine-1-carboxylate

tert-butyl (2R)-2-[(4-methoxycarbonylphenyl)methylcarbamoyl]piperidine-1-carboxylate (PubChem CID 98990393) has the molecular formula C20H28N2O5 and a molecular weight of 376.45 g/mol. Its IUPAC name is tert-butyl (2R)-2-[(4-methoxycarbonylphenyl)methylcarbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-2-[(4-methoxycarbonylphenyl)methylcarbamoyl]piperidine-1-carboxylate
PubChem CID98990393
Molecular FormulaC20H28N2O5
Molecular Weight376.45 g/mol
Exact Mass376.20
IUPAC Nametert-butyl (2R)-2-[(4-methoxycarbonylphenyl)methylcarbamoyl]piperidine-1-carboxylate
SMILESCOC(=O)c1ccc(CNC(=O)[C@H]2CCCCN2C(=O)OC(C)(C)C)cc1
InChIInChI=1S/C20H28N2O5/c1-20(2,3)27-19(25)22-12-6-5-7-16(22)17(23)21-13-14-8-10-15(11-9-14)18(24)26-4/h8-11,16H,5-7,12-13H2,1-4H3,(H,21,23)/t16-/m1/s1
InChIKeyUYLOZDPEWNGXPS-MRXNPFEDSA-N
XLogP2.88
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-O-tert-butyl 2-O-[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl] (2S)-pyrrolidine-1,2-dicarboxylate
CID 11908637
tert-butyl (2S)-2-[(4-cyanophenyl)methylcarbamoyl]pyrrolidine-1-carboxylate
CID 54165357
tert-butyl 2-[(3,4-dimethoxyphenyl)methylcarbamoyl]pyrrolidine-1-carboxylate
CID 4826015
tert-butyl (2R)-2-[(3-chloro-4-fluorophenyl)methylcarbamoyl]piperidine-1-carboxylate
CID 52855119
tert-butyl (2S)-2-[(2,6-dichlorophenyl)methylcarbamoyl]piperidine-1-carboxylate
CID 97173160
tert-butyl (2R)-2-[[1-(4-methoxycarbonylphenyl)cyclopropyl]carbamoyl]piperidine-1-carboxylate
CID 86731619
tert-butyl 2-[(3-fluorophenyl)methylcarbamoyl]piperidine-1-carboxylate
CID 10544841
tert-butyl 2-[[4-[(Z)-3-amino-1-iminobut-2-en-2-yl]phenyl]methylcarbamoyl]pyrrolidine-1-carboxylate;ethane;methanol
CID 177181829
tert-butyl (2S)-2-[[4-[(4-chlorophenyl)methoxy]phenyl]methylcarbamoyl]pyrrolidine-1-carboxylate
CID 142744150
tert-butyl 2-[(2-bromophenyl)methylcarbamoyl]piperidine-1-carboxylate
CID 69248323
methyl 2-[[4-(pyrrolidin-1-ylmethyl)phenyl]methylcarbamoyl]piperidine-1-carboxylate
CID 91786063
tert-butyl (2R)-2-(1H-pyrazol-5-ylmethylcarbamoyl)piperidine-1-carboxylate
CID 94809182

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-[(4-methoxycarbonylphenyl)methylcarbamoyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl (2R)-2-[(4-methoxycarbonylphenyl)methylcarbamoyl]piperidine-1-carboxylate (CID 98990393) is tert-butyl (2R)-2-[(4-methoxycarbonylphenyl)methylcarbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R)-2-[(4-methoxycarbonylphenyl)methylcarbamoyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R)-2-[(4-methoxycarbonylphenyl)methylcarbamoyl]piperidine-1-carboxylate is COC(=O)c1ccc(CNC(=O)[C@H]2CCCCN2C(=O)OC(C)(C)C)cc1.
What is the InChIKey of tert-butyl (2R)-2-[(4-methoxycarbonylphenyl)methylcarbamoyl]piperidine-1-carboxylate?
The InChIKey is UYLOZDPEWNGXPS-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H28N2O5/c1-20(2,3)27-19(25)22-12-6-5-7-16(22)17(23)21-13-14-8-10-15(11-9-14)18(24)26-4/h8-11,16H,5-7,12-13H2,1-4H3,(H,21,23)/t16-/m1/s1.
What are the key properties of tert-butyl (2R)-2-[(4-methoxycarbonylphenyl)methylcarbamoyl]piperidine-1-carboxylate?
tert-butyl (2R)-2-[(4-methoxycarbonylphenyl)methylcarbamoyl]piperidine-1-carboxylate has a molecular weight of 376.45 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-[(4-methoxycarbonylphenyl)methylcarbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 98990393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).