tert-butyl N-[(3S)-1-[(2S)-1-morpholin-4-yl-1-oxo-4-piperidin-1-ylbutan-2-yl]-2-oxopyrrolidin-3-yl]carbamate

C22H38N4O5 — CID 91120592

IUPACtert-butyl N-[(3S)-1-[(2S)-1-morpholin-4-yl-1-oxo-4-piperidin-1-ylbutan-2-yl]-2-oxopyrrolidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1CCN([C@@H](CCN2CCCCC2)C(=O)N2CCOCC2)C1=O
InChIInChI=1S/C22H38N4O5/c1-22(2,3)31-21(29)23-17-7-12-26(19(17)27)18(8-11-24-9-5-4-6-10-24)20(28)25-13-15-30-16-14-25/h17-18H,4-16H2,1-3H3,(H,23,29)/t17-,18-/m0/s1
InChIKeyGUNOHMATRULDPG-ROUUACIJSA-N
MW438.57 g/mol
LogP1.22
Rot. Bonds6

About tert-butyl N-[(3S)-1-[(2S)-1-morpholin-4-yl-1-oxo-4-piperidin-1-ylbutan-2-yl]-2-oxopyrrolidin-3-yl]carbamate

tert-butyl N-[(3S)-1-[(2S)-1-morpholin-4-yl-1-oxo-4-piperidin-1-ylbutan-2-yl]-2-oxopyrrolidin-3-yl]carbamate (PubChem CID 91120592) has the molecular formula C22H38N4O5 and a molecular weight of 438.57 g/mol. Its IUPAC name is tert-butyl N-[(3S)-1-[(2S)-1-morpholin-4-yl-1-oxo-4-piperidin-1-ylbutan-2-yl]-2-oxopyrrolidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3S)-1-[(2S)-1-morpholin-4-yl-1-oxo-4-piperidin-1-ylbutan-2-yl]-2-oxopyrrolidin-3-yl]carbamate
PubChem CID91120592
Molecular FormulaC22H38N4O5
Molecular Weight438.57 g/mol
Exact Mass438.28
IUPAC Nametert-butyl N-[(3S)-1-[(2S)-1-morpholin-4-yl-1-oxo-4-piperidin-1-ylbutan-2-yl]-2-oxopyrrolidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1CCN([C@@H](CCN2CCCCC2)C(=O)N2CCOCC2)C1=O
InChIInChI=1S/C22H38N4O5/c1-22(2,3)31-21(29)23-17-7-12-26(19(17)27)18(8-11-24-9-5-4-6-10-24)20(28)25-13-15-30-16-14-25/h17-18H,4-16H2,1-3H3,(H,23,29)/t17-,18-/m0/s1
InChIKeyGUNOHMATRULDPG-ROUUACIJSA-N
XLogP1.22
TPSA91.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.57
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[2-(4-ethyl-1-piperazinyl)ethyl]-8-(N-methyl-L-alanyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one dihydrochloride
CID 70724574
tert-butyl N-[1-[1-[2-(2,6-dimethylmorpholin-4-yl)-3-methylbutanoyl]pyrrolidin-3-yl]ethyl]carbamate
CID 75449078
t-Butyl (2s)-2-{[(2s)-4-methyl-1-(morpholin4-yl)-1-oxopentan-2-yl]carbamoyl}pyrrolidine-1carboxylate
CID 145997657
tert-butyl N-[4-fluoro-1-[(2S)-2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate
CID 166296387
Methyl 2-[4-[(2-oxo-3-piperidin-4-yl-1,3-oxazolidin-5-yl)methyl]piperazin-1-yl]acetate
CID 19071275
tert-butyl N-[(2R)-4-amino-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1,4-dioxobutan-2-yl]carbamate
CID 21060573
tert-butyl N-(3-morpholin-4-yl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl)carbamate
CID 21683232
tert-butyl N-[(2R)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-morpholin-4-yl-1-oxopropan-2-yl]carbamate
CID 23540253
tert-butyl N-[(2R,3R)-3-methoxy-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1-oxobutan-2-yl]carbamate
CID 23540257
tert-butyl (2S)-2-(2-morpholin-4-ylethylcarbamoyl)pyrrolidine-1-carboxylate
CID 53780041
(3(S)-tert-butoxycarbonylamino-5(R)-methyl-2-oxo-pyrrolidin-1-yl)-acetic acid ethyl ester
CID 54537755
tert-butyl (2S,4S)-1-tert-butyl-2-carbamoyl-4-morpholin-4-ylpyrrolidin-1-ium-1-carboxylate
CID 57260908

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3S)-1-[(2S)-1-morpholin-4-yl-1-oxo-4-piperidin-1-ylbutan-2-yl]-2-oxopyrrolidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3S)-1-[(2S)-1-morpholin-4-yl-1-oxo-4-piperidin-1-ylbutan-2-yl]-2-oxopyrrolidin-3-yl]carbamate (CID 91120592) is tert-butyl N-[(3S)-1-[(2S)-1-morpholin-4-yl-1-oxo-4-piperidin-1-ylbutan-2-yl]-2-oxopyrrolidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3S)-1-[(2S)-1-morpholin-4-yl-1-oxo-4-piperidin-1-ylbutan-2-yl]-2-oxopyrrolidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3S)-1-[(2S)-1-morpholin-4-yl-1-oxo-4-piperidin-1-ylbutan-2-yl]-2-oxopyrrolidin-3-yl]carbamate is CC(C)(C)OC(=O)N[C@H]1CCN([C@@H](CCN2CCCCC2)C(=O)N2CCOCC2)C1=O.
What is the InChIKey of tert-butyl N-[(3S)-1-[(2S)-1-morpholin-4-yl-1-oxo-4-piperidin-1-ylbutan-2-yl]-2-oxopyrrolidin-3-yl]carbamate?
The InChIKey is GUNOHMATRULDPG-ROUUACIJSA-N. The full InChI is InChI=1S/C22H38N4O5/c1-22(2,3)31-21(29)23-17-7-12-26(19(17)27)18(8-11-24-9-5-4-6-10-24)20(28)25-13-15-30-16-14-25/h17-18H,4-16H2,1-3H3,(H,23,29)/t17-,18-/m0/s1.
What are the key properties of tert-butyl N-[(3S)-1-[(2S)-1-morpholin-4-yl-1-oxo-4-piperidin-1-ylbutan-2-yl]-2-oxopyrrolidin-3-yl]carbamate?
tert-butyl N-[(3S)-1-[(2S)-1-morpholin-4-yl-1-oxo-4-piperidin-1-ylbutan-2-yl]-2-oxopyrrolidin-3-yl]carbamate has a molecular weight of 438.57 g/mol, XLogP of 1.22, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3S)-1-[(2S)-1-morpholin-4-yl-1-oxo-4-piperidin-1-ylbutan-2-yl]-2-oxopyrrolidin-3-yl]carbamate is sourced from PubChem (CID 91120592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).