benzyl N-[(4S,5R)-1-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopiperidin-4-yl]carbamate

C19H27N3O5 — CID 67505125

IUPACbenzyl N-[(4S,5R)-1-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopiperidin-4-yl]carbamate
SMILESCN1C[C@@H](NC(=O)OC(C)(C)C)[C@@H](NC(=O)OCc2ccccc2)CC1=O
InChIInChI=1S/C19H27N3O5/c1-19(2,3)27-18(25)21-15-11-22(4)16(23)10-14(15)20-17(24)26-12-13-8-6-5-7-9-13/h5-9,14-15H,10-12H2,1-4H3,(H,20,24)(H,21,25)/t14-,15+/m0/s1
InChIKeyTYQZNONOIQKHLA-LSDHHAIUSA-N
MW377.44 g/mol
LogP2.04
Rot. Bonds4

About benzyl N-[(4S,5R)-1-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopiperidin-4-yl]carbamate

benzyl N-[(4S,5R)-1-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopiperidin-4-yl]carbamate (PubChem CID 67505125) has the molecular formula C19H27N3O5 and a molecular weight of 377.44 g/mol. Its IUPAC name is benzyl N-[(4S,5R)-1-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopiperidin-4-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(4S,5R)-1-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopiperidin-4-yl]carbamate
PubChem CID67505125
Molecular FormulaC19H27N3O5
Molecular Weight377.44 g/mol
Exact Mass377.20
IUPAC Namebenzyl N-[(4S,5R)-1-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopiperidin-4-yl]carbamate
SMILESCN1C[C@@H](NC(=O)OC(C)(C)C)[C@@H](NC(=O)OCc2ccccc2)CC1=O
InChIInChI=1S/C19H27N3O5/c1-19(2,3)27-18(25)21-15-11-22(4)16(23)10-14(15)20-17(24)26-12-13-8-6-5-7-9-13/h5-9,14-15H,10-12H2,1-4H3,(H,20,24)(H,21,25)/t14-,15+/m0/s1
InChIKeyTYQZNONOIQKHLA-LSDHHAIUSA-N
XLogP2.04
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze benzyl N-[(4S,5R)-1-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopiperidin-4-yl]carbamate with MolForge

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Related Compounds

(3R,4S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(phenylmethoxycarbonylamino)piperidine-1-carboxylic acid
CID 91321164
tert-butyl 3-methoxy-4-(phenylmethoxycarbonylamino)pyrrolidine-1-carboxylate
CID 70982900
benzyl N-[(4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]oxan-3-yl]carbamate
CID 134454025
benzyl (3R,4S)-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidine-1-carboxylate
CID 59254368
benzyl N-[(3S,4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]oxan-3-yl]carbamate
CID 121422057
tert-butyl N-[(3R,4R)-1-benzyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-3-yl]carbamate
CID 11784143
benzyl N-[(3S,4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-3-yl]carbamate
CID 86648783
tert-butyl (3R,4R)-3-ethyl-4-(phenylmethoxycarbonylamino)pyrrolidine-1-carboxylate
CID 168786450
tert-butyl 3-fluoro-4-(phenylmethoxycarbonylamino)pyrrolidine-1-carboxylate
CID 83853939
benzyl (2S)-5-[(3S,4R)-3,4-bis[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoate
CID 59367082
benzyl N-[(3S,4S)-1-tert-butyl-4-hydroxypyrrolidin-3-yl]carbamate
CID 130205686
benzyl N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(2-methyl-1,2,4-triazol-3-yl)cyclohexyl]carbamate
CID 68589815

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(4S,5R)-1-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopiperidin-4-yl]carbamate?
The IUPAC name of benzyl N-[(4S,5R)-1-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopiperidin-4-yl]carbamate (CID 67505125) is benzyl N-[(4S,5R)-1-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopiperidin-4-yl]carbamate.
What is the SMILES notation for benzyl N-[(4S,5R)-1-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopiperidin-4-yl]carbamate?
The canonical SMILES for benzyl N-[(4S,5R)-1-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopiperidin-4-yl]carbamate is CN1C[C@@H](NC(=O)OC(C)(C)C)[C@@H](NC(=O)OCc2ccccc2)CC1=O.
What is the InChIKey of benzyl N-[(4S,5R)-1-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopiperidin-4-yl]carbamate?
The InChIKey is TYQZNONOIQKHLA-LSDHHAIUSA-N. The full InChI is InChI=1S/C19H27N3O5/c1-19(2,3)27-18(25)21-15-11-22(4)16(23)10-14(15)20-17(24)26-12-13-8-6-5-7-9-13/h5-9,14-15H,10-12H2,1-4H3,(H,20,24)(H,21,25)/t14-,15+/m0/s1.
What are the key properties of benzyl N-[(4S,5R)-1-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopiperidin-4-yl]carbamate?
benzyl N-[(4S,5R)-1-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopiperidin-4-yl]carbamate has a molecular weight of 377.44 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(4S,5R)-1-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopiperidin-4-yl]carbamate is sourced from PubChem (CID 67505125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).