tert-butyl N-[1-oxo-3-(2-oxopiperidin-3-yl)-1-[(6-oxo-1H-pyridin-3-yl)amino]propan-2-yl]carbamate

C18H26N4O5 — CID 166390870

IUPACtert-butyl N-[1-oxo-3-(2-oxopiperidin-3-yl)-1-[(6-oxo-1H-pyridin-3-yl)amino]propan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)NC(CC1CCCNC1=O)C(=O)Nc1ccc(=O)[nH]c1
InChIInChI=1S/C18H26N4O5/c1-18(2,3)27-17(26)22-13(9-11-5-4-8-19-15(11)24)16(25)21-12-6-7-14(23)20-10-12/h6-7,10-11,13H,4-5,8-9H2,1-3H3,(H,19,24)(H,20,23)(H,21,25)(H,22,26)
InChIKeyIFZVVCXUSZNFFO-UHFFFAOYSA-N
MW378.43 g/mol
LogP1.12
Rot. Bonds5

About tert-butyl N-[1-oxo-3-(2-oxopiperidin-3-yl)-1-[(6-oxo-1H-pyridin-3-yl)amino]propan-2-yl]carbamate

tert-butyl N-[1-oxo-3-(2-oxopiperidin-3-yl)-1-[(6-oxo-1H-pyridin-3-yl)amino]propan-2-yl]carbamate (PubChem CID 166390870) has the molecular formula C18H26N4O5 and a molecular weight of 378.43 g/mol. Its IUPAC name is tert-butyl N-[1-oxo-3-(2-oxopiperidin-3-yl)-1-[(6-oxo-1H-pyridin-3-yl)amino]propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-oxo-3-(2-oxopiperidin-3-yl)-1-[(6-oxo-1H-pyridin-3-yl)amino]propan-2-yl]carbamate
PubChem CID166390870
Molecular FormulaC18H26N4O5
Molecular Weight378.43 g/mol
Exact Mass378.19
IUPAC Nametert-butyl N-[1-oxo-3-(2-oxopiperidin-3-yl)-1-[(6-oxo-1H-pyridin-3-yl)amino]propan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)NC(CC1CCCNC1=O)C(=O)Nc1ccc(=O)[nH]c1
InChIInChI=1S/C18H26N4O5/c1-18(2,3)27-17(26)22-13(9-11-5-4-8-19-15(11)24)16(25)21-12-6-7-14(23)20-10-12/h6-7,10-11,13H,4-5,8-9H2,1-3H3,(H,19,24)(H,20,23)(H,21,25)(H,22,26)
InChIKeyIFZVVCXUSZNFFO-UHFFFAOYSA-N
XLogP1.12
TPSA129.39 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 51.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[1-amino-1-oxo-3-(2-oxopiperidin-3-yl)propan-2-yl]carbamate
CID 167238360
tert-butyl N-[(2S)-1-[[(2S)-4-chloro-3-oxo-1-[(3S)-2-oxopiperidin-3-yl]butan-2-yl]amino]-4,4-dimethyl-1-oxopentan-2-yl]carbamate
CID 164544240
ethane;methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(2-oxopyrrolidin-3-yl)propanoate
CID 142046248
tert-butyl N-[4-(3,3-difluoroazetidin-1-yl)-3,4-dioxo-1-(2-oxopiperidin-3-yl)butan-2-yl]carbamate;ethane
CID 168941896
2-[[3-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-3-(2-oxopyrrolidin-3-yl)propanoic acid
CID 175458087
tert-butyl N-[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pent-4-en-2-yl]carbamate
CID 162695922
methyl 2-[[3-cyclobutyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate
CID 175458211
tert-butyl N-[1-[(3S)-2-oxopiperidin-3-yl]-4-phenylbut-3-yn-2-yl]carbamate
CID 172548452
tert-butyl N-[(2S)-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-3,4-dioxo-1-[(3S)-2-oxopiperidin-3-yl]butan-2-yl]carbamate
CID 177068195
[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxo-4-[(3S)-2-oxopyrrolidin-3-yl]butyl] benzoate
CID 162695583
tert-butyl N-[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(1,1,3,3-tetrafluoropropan-2-yloxy)butan-2-yl]carbamate
CID 166170476
tert-butyl N-[3-hydroxy-4-(methylamino)-4-oxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]carbamate
CID 157044319

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-oxo-3-(2-oxopiperidin-3-yl)-1-[(6-oxo-1H-pyridin-3-yl)amino]propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-oxo-3-(2-oxopiperidin-3-yl)-1-[(6-oxo-1H-pyridin-3-yl)amino]propan-2-yl]carbamate (CID 166390870) is tert-butyl N-[1-oxo-3-(2-oxopiperidin-3-yl)-1-[(6-oxo-1H-pyridin-3-yl)amino]propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-oxo-3-(2-oxopiperidin-3-yl)-1-[(6-oxo-1H-pyridin-3-yl)amino]propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-oxo-3-(2-oxopiperidin-3-yl)-1-[(6-oxo-1H-pyridin-3-yl)amino]propan-2-yl]carbamate is CC(C)(C)OC(=O)NC(CC1CCCNC1=O)C(=O)Nc1ccc(=O)[nH]c1.
What is the InChIKey of tert-butyl N-[1-oxo-3-(2-oxopiperidin-3-yl)-1-[(6-oxo-1H-pyridin-3-yl)amino]propan-2-yl]carbamate?
The InChIKey is IFZVVCXUSZNFFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O5/c1-18(2,3)27-17(26)22-13(9-11-5-4-8-19-15(11)24)16(25)21-12-6-7-14(23)20-10-12/h6-7,10-11,13H,4-5,8-9H2,1-3H3,(H,19,24)(H,20,23)(H,21,25)(H,22,26).
What are the key properties of tert-butyl N-[1-oxo-3-(2-oxopiperidin-3-yl)-1-[(6-oxo-1H-pyridin-3-yl)amino]propan-2-yl]carbamate?
tert-butyl N-[1-oxo-3-(2-oxopiperidin-3-yl)-1-[(6-oxo-1H-pyridin-3-yl)amino]propan-2-yl]carbamate has a molecular weight of 378.43 g/mol, XLogP of 1.12, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-oxo-3-(2-oxopiperidin-3-yl)-1-[(6-oxo-1H-pyridin-3-yl)amino]propan-2-yl]carbamate is sourced from PubChem (CID 166390870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).