benzyl N-[(3S)-3-hydroxy-4-[(3R)-3-hydroxypiperidin-1-yl]-4-oxobutyl]carbamate

C17H24N2O5 — CID 166391197

IUPACbenzyl N-[(3S)-3-hydroxy-4-[(3R)-3-hydroxypiperidin-1-yl]-4-oxobutyl]carbamate
SMILESO=C(NCC[C@H](O)C(=O)N1CCC[C@@H](O)C1)OCc1ccccc1
InChIInChI=1S/C17H24N2O5/c20-14-7-4-10-19(11-14)16(22)15(21)8-9-18-17(23)24-12-13-5-2-1-3-6-13/h1-3,5-6,14-15,20-21H,4,7-12H2,(H,18,23)/t14-,15+/m1/s1
InChIKeyRIEFOQAZDMQPAL-CABCVRRESA-N
MW336.39 g/mol
LogP0.65
Rot. Bonds6

About benzyl N-[(3S)-3-hydroxy-4-[(3R)-3-hydroxypiperidin-1-yl]-4-oxobutyl]carbamate

benzyl N-[(3S)-3-hydroxy-4-[(3R)-3-hydroxypiperidin-1-yl]-4-oxobutyl]carbamate (PubChem CID 166391197) has the molecular formula C17H24N2O5 and a molecular weight of 336.39 g/mol. Its IUPAC name is benzyl N-[(3S)-3-hydroxy-4-[(3R)-3-hydroxypiperidin-1-yl]-4-oxobutyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(3S)-3-hydroxy-4-[(3R)-3-hydroxypiperidin-1-yl]-4-oxobutyl]carbamate
PubChem CID166391197
Molecular FormulaC17H24N2O5
Molecular Weight336.39 g/mol
Exact Mass336.17
IUPAC Namebenzyl N-[(3S)-3-hydroxy-4-[(3R)-3-hydroxypiperidin-1-yl]-4-oxobutyl]carbamate
SMILESO=C(NCC[C@H](O)C(=O)N1CCC[C@@H](O)C1)OCc1ccccc1
InChIInChI=1S/C17H24N2O5/c20-14-7-4-10-19(11-14)16(22)15(21)8-9-18-17(23)24-12-13-5-2-1-3-6-13/h1-3,5-6,14-15,20-21H,4,7-12H2,(H,18,23)/t14-,15+/m1/s1
InChIKeyRIEFOQAZDMQPAL-CABCVRRESA-N
XLogP0.65
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-hydroxy-N-phenylmethoxypiperidine-1-carboxamide
CID 110933496
1-(3-hydroxypiperidin-1-yl)-2-phenylmethoxypropan-1-one
CID 43428067
benzyl N-[5-(3-hydroxypyrrolidin-1-yl)pentyl]carbamate
CID 151856393
benzyl N-(3,4-dihydroxybutyl)carbamate
CID 66736526
4-oxo-3-(phenylmethoxycarbonylamino)-4-pyrrolidin-1-ylbutanoic acid
CID 156690866
benzyl N-[[1-[(2S)-2-amino-3-methylbutanoyl]piperidin-3-yl]methyl]carbamate
CID 66566800
3-(phenylmethoxycarbonylaminomethyl)piperidine-1-carboxylic acid
CID 22350247
(3S)-4-oxo-3-(phenylmethoxycarbonylamino)-4-piperidin-1-ylbutanoic acid
CID 70003305
benzyl N-[(3S)-3-amino-4-cyclopentylbutyl]carbamate
CID 141177853
benzyl N-(3-hydroxybutyl)carbamate
CID 54160471
benzyl N-[1-(2-aminopropanoyl)piperidin-3-yl]carbamate
CID 77144045
benzyl N-[(3R)-3-hydroxy-3-phenylpropyl]carbamate
CID 125117230

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(3S)-3-hydroxy-4-[(3R)-3-hydroxypiperidin-1-yl]-4-oxobutyl]carbamate?
The IUPAC name of benzyl N-[(3S)-3-hydroxy-4-[(3R)-3-hydroxypiperidin-1-yl]-4-oxobutyl]carbamate (CID 166391197) is benzyl N-[(3S)-3-hydroxy-4-[(3R)-3-hydroxypiperidin-1-yl]-4-oxobutyl]carbamate.
What is the SMILES notation for benzyl N-[(3S)-3-hydroxy-4-[(3R)-3-hydroxypiperidin-1-yl]-4-oxobutyl]carbamate?
The canonical SMILES for benzyl N-[(3S)-3-hydroxy-4-[(3R)-3-hydroxypiperidin-1-yl]-4-oxobutyl]carbamate is O=C(NCC[C@H](O)C(=O)N1CCC[C@@H](O)C1)OCc1ccccc1.
What is the InChIKey of benzyl N-[(3S)-3-hydroxy-4-[(3R)-3-hydroxypiperidin-1-yl]-4-oxobutyl]carbamate?
The InChIKey is RIEFOQAZDMQPAL-CABCVRRESA-N. The full InChI is InChI=1S/C17H24N2O5/c20-14-7-4-10-19(11-14)16(22)15(21)8-9-18-17(23)24-12-13-5-2-1-3-6-13/h1-3,5-6,14-15,20-21H,4,7-12H2,(H,18,23)/t14-,15+/m1/s1.
What are the key properties of benzyl N-[(3S)-3-hydroxy-4-[(3R)-3-hydroxypiperidin-1-yl]-4-oxobutyl]carbamate?
benzyl N-[(3S)-3-hydroxy-4-[(3R)-3-hydroxypiperidin-1-yl]-4-oxobutyl]carbamate has a molecular weight of 336.39 g/mol, XLogP of 0.65, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(3S)-3-hydroxy-4-[(3R)-3-hydroxypiperidin-1-yl]-4-oxobutyl]carbamate is sourced from PubChem (CID 166391197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).