benzyl 4-[(2R)-2-amino-3-methoxy-3-oxopropyl]piperidine-1-carboxylate

C17H24N2O4 — CID 155904176

IUPACbenzyl 4-[(2R)-2-amino-3-methoxy-3-oxopropyl]piperidine-1-carboxylate
SMILESCOC(=O)[C@H](N)CC1CCN(C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C17H24N2O4/c1-22-16(20)15(18)11-13-7-9-19(10-8-13)17(21)23-12-14-5-3-2-4-6-14/h2-6,13,15H,7-12,18H2,1H3/t15-/m1/s1
InChIKeyXNNVXQOYAYKRND-OAHLLOKOSA-N
MW320.39 g/mol
LogP1.93
Rot. Bonds5

About benzyl 4-[(2R)-2-amino-3-methoxy-3-oxopropyl]piperidine-1-carboxylate

benzyl 4-[(2R)-2-amino-3-methoxy-3-oxopropyl]piperidine-1-carboxylate (PubChem CID 155904176) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is benzyl 4-[(2R)-2-amino-3-methoxy-3-oxopropyl]piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-[(2R)-2-amino-3-methoxy-3-oxopropyl]piperidine-1-carboxylate
PubChem CID155904176
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Namebenzyl 4-[(2R)-2-amino-3-methoxy-3-oxopropyl]piperidine-1-carboxylate
SMILESCOC(=O)[C@H](N)CC1CCN(C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C17H24N2O4/c1-22-16(20)15(18)11-13-7-9-19(10-8-13)17(21)23-12-14-5-3-2-4-6-14/h2-6,13,15H,7-12,18H2,1H3/t15-/m1/s1
InChIKeyXNNVXQOYAYKRND-OAHLLOKOSA-N
XLogP1.93
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl 3-(2-amino-3-ethoxy-3-oxopropyl)pyrrolidine-1-carboxylate
CID 170885033
benzyl 4-[(propan-2-ylamino)methyl]piperidine-1-carboxylate
CID 66569243
benzyl 4-(1-aminopropyl)piperidine-1-carboxylate
CID 154815286
benzyl 4-[2-hydroxy-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propyl]piperidine-1-carboxylate
CID 177321170
benzyl 4-[(1S)-1-(chloroamino)ethyl]piperidine-1-carboxylate
CID 126554184
benzyl 4-(hydroxymethyl)piperidine-1-carboxylate;methanesulfonic acid
CID 86749923
benzyl 4-[(1R)-1-hydroxy-3-methoxy-3-oxopropyl]piperidine-1-carboxylate
CID 97168111
benzyl 4-(1-hydroxy-3-methoxy-3-oxopropyl)piperidine-1-carboxylate
CID 71648259
benzyl 4,5-dihydroxyazepane-1-carboxylate
CID 77454626
benzyl 4-(2-aminoethyl)piperidine-1-carboxylate
CID 22405759
benzyl (3S)-3-(2-methoxy-2-oxoethyl)pyrrolidine-1-carboxylate
CID 58834378
benzyl 4-[[(2S)-2-aminopropanoyl]amino]piperidine-1-carboxylate
CID 66564858

Frequently Asked Questions

What is the IUPAC name of benzyl 4-[(2R)-2-amino-3-methoxy-3-oxopropyl]piperidine-1-carboxylate?
The IUPAC name of benzyl 4-[(2R)-2-amino-3-methoxy-3-oxopropyl]piperidine-1-carboxylate (CID 155904176) is benzyl 4-[(2R)-2-amino-3-methoxy-3-oxopropyl]piperidine-1-carboxylate.
What is the SMILES notation for benzyl 4-[(2R)-2-amino-3-methoxy-3-oxopropyl]piperidine-1-carboxylate?
The canonical SMILES for benzyl 4-[(2R)-2-amino-3-methoxy-3-oxopropyl]piperidine-1-carboxylate is COC(=O)[C@H](N)CC1CCN(C(=O)OCc2ccccc2)CC1.
What is the InChIKey of benzyl 4-[(2R)-2-amino-3-methoxy-3-oxopropyl]piperidine-1-carboxylate?
The InChIKey is XNNVXQOYAYKRND-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-22-16(20)15(18)11-13-7-9-19(10-8-13)17(21)23-12-14-5-3-2-4-6-14/h2-6,13,15H,7-12,18H2,1H3/t15-/m1/s1.
What are the key properties of benzyl 4-[(2R)-2-amino-3-methoxy-3-oxopropyl]piperidine-1-carboxylate?
benzyl 4-[(2R)-2-amino-3-methoxy-3-oxopropyl]piperidine-1-carboxylate has a molecular weight of 320.39 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-[(2R)-2-amino-3-methoxy-3-oxopropyl]piperidine-1-carboxylate is sourced from PubChem (CID 155904176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).