benzyl (2R,5R)-5-hydroxy-2-(methylcarbamoyl)piperidine-1-carboxylate

C15H20N2O4 — CID 118193066

IUPACbenzyl (2R,5R)-5-hydroxy-2-(methylcarbamoyl)piperidine-1-carboxylate
SMILESCNC(=O)[C@H]1CC[C@@H](O)CN1C(=O)OCc1ccccc1
InChIInChI=1S/C15H20N2O4/c1-16-14(19)13-8-7-12(18)9-17(13)15(20)21-10-11-5-3-2-4-6-11/h2-6,12-13,18H,7-10H2,1H3,(H,16,19)/t12-,13-/m1/s1
InChIKeyOVTGZHXFTWBFKE-CHWSQXEVSA-N
MW292.33 g/mol
LogP0.89
Rot. Bonds3

About benzyl (2R,5R)-5-hydroxy-2-(methylcarbamoyl)piperidine-1-carboxylate

benzyl (2R,5R)-5-hydroxy-2-(methylcarbamoyl)piperidine-1-carboxylate (PubChem CID 118193066) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is benzyl (2R,5R)-5-hydroxy-2-(methylcarbamoyl)piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl (2R,5R)-5-hydroxy-2-(methylcarbamoyl)piperidine-1-carboxylate
PubChem CID118193066
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Namebenzyl (2R,5R)-5-hydroxy-2-(methylcarbamoyl)piperidine-1-carboxylate
SMILESCNC(=O)[C@H]1CC[C@@H](O)CN1C(=O)OCc1ccccc1
InChIInChI=1S/C15H20N2O4/c1-16-14(19)13-8-7-12(18)9-17(13)15(20)21-10-11-5-3-2-4-6-11/h2-6,12-13,18H,7-10H2,1H3,(H,16,19)/t12-,13-/m1/s1
InChIKeyOVTGZHXFTWBFKE-CHWSQXEVSA-N
XLogP0.89
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-O-benzyl 2-O-methyl 5-hydroxypiperidine-1,2-dicarboxylate
CID 14081061
1-O-benzyl 2-O-ethyl (2S,5S)-5-hydroxypiperidine-1,2-dicarboxylate
CID 118193062
1-O-benzyl 2-O-ethyl (2R,5R)-5-hydroxypiperidine-1,2-dicarboxylate
CID 118193064
benzyl (2S,5R)-5-hydroxy-2-methylpiperidine-1-carboxylate
CID 97112056
benzyl (2R)-5-hydroxy-2-methylpiperidine-1-carboxylate
CID 86724500
benzyl 4-methoxy-2-(methylcarbamoyl)pyrrolidine-1-carboxylate
CID 18404291
benzyl 2-carbamoyl-4-hydroxypyrrolidine-1-carboxylate
CID 18520553
dibenzyl (2S)-4-hydroxypyrrolidine-1,2-dicarboxylate
CID 57008512
benzyl 2-(cycloheptylcarbamoyl)-4-hydroxypyrrolidine-1-carboxylate
CID 563091
benzyl 2-carboniodidoyl-4-hydroxypyrrolidine-1-carboxylate
CID 129035263
benzyl (2S,4R)-4-hydroxy-2-[[(1S,2R)-2-methylcyclohexyl]carbamoyl]pyrrolidine-1-carboxylate
CID 124592795
benzyl 3-methoxy-2-(methylcarbamoyl)azetidine-1-carboxylate
CID 69328945

Frequently Asked Questions

What is the IUPAC name of benzyl (2R,5R)-5-hydroxy-2-(methylcarbamoyl)piperidine-1-carboxylate?
The IUPAC name of benzyl (2R,5R)-5-hydroxy-2-(methylcarbamoyl)piperidine-1-carboxylate (CID 118193066) is benzyl (2R,5R)-5-hydroxy-2-(methylcarbamoyl)piperidine-1-carboxylate.
What is the SMILES notation for benzyl (2R,5R)-5-hydroxy-2-(methylcarbamoyl)piperidine-1-carboxylate?
The canonical SMILES for benzyl (2R,5R)-5-hydroxy-2-(methylcarbamoyl)piperidine-1-carboxylate is CNC(=O)[C@H]1CC[C@@H](O)CN1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl (2R,5R)-5-hydroxy-2-(methylcarbamoyl)piperidine-1-carboxylate?
The InChIKey is OVTGZHXFTWBFKE-CHWSQXEVSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-16-14(19)13-8-7-12(18)9-17(13)15(20)21-10-11-5-3-2-4-6-11/h2-6,12-13,18H,7-10H2,1H3,(H,16,19)/t12-,13-/m1/s1.
What are the key properties of benzyl (2R,5R)-5-hydroxy-2-(methylcarbamoyl)piperidine-1-carboxylate?
benzyl (2R,5R)-5-hydroxy-2-(methylcarbamoyl)piperidine-1-carboxylate has a molecular weight of 292.33 g/mol, XLogP of 0.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2R,5R)-5-hydroxy-2-(methylcarbamoyl)piperidine-1-carboxylate is sourced from PubChem (CID 118193066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).