benzyl (2S)-1-[(3-hydroxy-2,2-dimethylpropyl)carbamoyl]piperidine-2-carboxylate

C19H28N2O4 — CID 11792025

IUPACbenzyl (2S)-1-[(3-hydroxy-2,2-dimethylpropyl)carbamoyl]piperidine-2-carboxylate
SMILESCC(C)(CO)CNC(=O)N1CCCC[C@H]1C(=O)OCc1ccccc1
InChIInChI=1S/C19H28N2O4/c1-19(2,14-22)13-20-18(24)21-11-7-6-10-16(21)17(23)25-12-15-8-4-3-5-9-15/h3-5,8-9,16,22H,6-7,10-14H2,1-2H3,(H,20,24)/t16-/m0/s1
InChIKeyGEYGKLXGCKUOLL-INIZCTEOSA-N
MW348.44 g/mol
LogP2.31
Rot. Bonds6

About benzyl (2S)-1-[(3-hydroxy-2,2-dimethylpropyl)carbamoyl]piperidine-2-carboxylate

benzyl (2S)-1-[(3-hydroxy-2,2-dimethylpropyl)carbamoyl]piperidine-2-carboxylate (PubChem CID 11792025) has the molecular formula C19H28N2O4 and a molecular weight of 348.44 g/mol. Its IUPAC name is benzyl (2S)-1-[(3-hydroxy-2,2-dimethylpropyl)carbamoyl]piperidine-2-carboxylate.

Molecular Properties

Compound Namebenzyl (2S)-1-[(3-hydroxy-2,2-dimethylpropyl)carbamoyl]piperidine-2-carboxylate
PubChem CID11792025
Molecular FormulaC19H28N2O4
Molecular Weight348.44 g/mol
Exact Mass348.20
IUPAC Namebenzyl (2S)-1-[(3-hydroxy-2,2-dimethylpropyl)carbamoyl]piperidine-2-carboxylate
SMILESCC(C)(CO)CNC(=O)N1CCCC[C@H]1C(=O)OCc1ccccc1
InChIInChI=1S/C19H28N2O4/c1-19(2,14-22)13-20-18(24)21-11-7-6-10-16(21)17(23)25-12-15-8-4-3-5-9-15/h3-5,8-9,16,22H,6-7,10-14H2,1-2H3,(H,20,24)/t16-/m0/s1
InChIKeyGEYGKLXGCKUOLL-INIZCTEOSA-N
XLogP2.31
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of benzyl (2S)-1-[(3-hydroxy-2,2-dimethylpropyl)carbamoyl]piperidine-2-carboxylate?
The IUPAC name of benzyl (2S)-1-[(3-hydroxy-2,2-dimethylpropyl)carbamoyl]piperidine-2-carboxylate (CID 11792025) is benzyl (2S)-1-[(3-hydroxy-2,2-dimethylpropyl)carbamoyl]piperidine-2-carboxylate.
What is the SMILES notation for benzyl (2S)-1-[(3-hydroxy-2,2-dimethylpropyl)carbamoyl]piperidine-2-carboxylate?
The canonical SMILES for benzyl (2S)-1-[(3-hydroxy-2,2-dimethylpropyl)carbamoyl]piperidine-2-carboxylate is CC(C)(CO)CNC(=O)N1CCCC[C@H]1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl (2S)-1-[(3-hydroxy-2,2-dimethylpropyl)carbamoyl]piperidine-2-carboxylate?
The InChIKey is GEYGKLXGCKUOLL-INIZCTEOSA-N. The full InChI is InChI=1S/C19H28N2O4/c1-19(2,14-22)13-20-18(24)21-11-7-6-10-16(21)17(23)25-12-15-8-4-3-5-9-15/h3-5,8-9,16,22H,6-7,10-14H2,1-2H3,(H,20,24)/t16-/m0/s1.
What are the key properties of benzyl (2S)-1-[(3-hydroxy-2,2-dimethylpropyl)carbamoyl]piperidine-2-carboxylate?
benzyl (2S)-1-[(3-hydroxy-2,2-dimethylpropyl)carbamoyl]piperidine-2-carboxylate has a molecular weight of 348.44 g/mol, XLogP of 2.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2S)-1-[(3-hydroxy-2,2-dimethylpropyl)carbamoyl]piperidine-2-carboxylate is sourced from PubChem (CID 11792025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).