benzyl 4-[2-hydroxypropyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]piperidine-1-carboxylate

C22H34N2O5 — CID 22989458

IUPACbenzyl 4-[2-hydroxypropyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]piperidine-1-carboxylate
SMILESCC(O)CN(CC(=O)OC(C)(C)C)C1CCN(C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C22H34N2O5/c1-17(25)14-24(15-20(26)29-22(2,3)4)19-10-12-23(13-11-19)21(27)28-16-18-8-6-5-7-9-18/h5-9,17,19,25H,10-16H2,1-4H3
InChIKeyMPONXIJANXRBCS-UHFFFAOYSA-N
MW406.52 g/mol
LogP2.81
Rot. Bonds7

About benzyl 4-[2-hydroxypropyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]piperidine-1-carboxylate

benzyl 4-[2-hydroxypropyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]piperidine-1-carboxylate (PubChem CID 22989458) has the molecular formula C22H34N2O5 and a molecular weight of 406.52 g/mol. Its IUPAC name is benzyl 4-[2-hydroxypropyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-[2-hydroxypropyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]piperidine-1-carboxylate
PubChem CID22989458
Molecular FormulaC22H34N2O5
Molecular Weight406.52 g/mol
Exact Mass406.25
IUPAC Namebenzyl 4-[2-hydroxypropyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]piperidine-1-carboxylate
SMILESCC(O)CN(CC(=O)OC(C)(C)C)C1CCN(C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C22H34N2O5/c1-17(25)14-24(15-20(26)29-22(2,3)4)19-10-12-23(13-11-19)21(27)28-16-18-8-6-5-7-9-18/h5-9,17,19,25H,10-16H2,1-4H3
InChIKeyMPONXIJANXRBCS-UHFFFAOYSA-N
XLogP2.81
TPSA79.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.52
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

benzyl 4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperidine-1-carboxylate
CID 131636835
benzyl 4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]sulfanylpiperidine-1-carboxylate
CID 129189016
benzyl (3R)-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrrolidine-1-carboxylate
CID 58940619
benzyl 4-[2-hydroxy-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propyl]piperidine-1-carboxylate
CID 177321170
benzyl 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrrolidine-1-carboxylate
CID 46835598
2-[ethyl-(1-phenylmethoxycarbonylpiperidin-4-yl)amino]acetic acid
CID 66564244
benzyl 4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]piperidine-1-carboxylate
CID 68919124
benzyl 4-[4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidin-1-yl]piperidine-1-carboxylate
CID 177301155
benzyl 4-[acetyl(methyl)amino]piperidine-1-carboxylate
CID 23369982
benzyl 4-[3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2H-pyrrol-5-yl]piperidine-1-carboxylate
CID 146862643
benzyl 4-[(2-aminophenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carboxylate
CID 155090457
benzyl 4-[1,3-dihydroxy-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propan-2-yl]piperidine-1-carboxylate
CID 177118557

Frequently Asked Questions

What is the IUPAC name of benzyl 4-[2-hydroxypropyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]piperidine-1-carboxylate?
The IUPAC name of benzyl 4-[2-hydroxypropyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]piperidine-1-carboxylate (CID 22989458) is benzyl 4-[2-hydroxypropyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for benzyl 4-[2-hydroxypropyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]piperidine-1-carboxylate?
The canonical SMILES for benzyl 4-[2-hydroxypropyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]piperidine-1-carboxylate is CC(O)CN(CC(=O)OC(C)(C)C)C1CCN(C(=O)OCc2ccccc2)CC1.
What is the InChIKey of benzyl 4-[2-hydroxypropyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]piperidine-1-carboxylate?
The InChIKey is MPONXIJANXRBCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O5/c1-17(25)14-24(15-20(26)29-22(2,3)4)19-10-12-23(13-11-19)21(27)28-16-18-8-6-5-7-9-18/h5-9,17,19,25H,10-16H2,1-4H3.
What are the key properties of benzyl 4-[2-hydroxypropyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]piperidine-1-carboxylate?
benzyl 4-[2-hydroxypropyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]piperidine-1-carboxylate has a molecular weight of 406.52 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-[2-hydroxypropyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 22989458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).