tert-butyl N-[3-oxo-3-[[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-4-yl]methylamino]propyl]carbamate

C22H38N4O5 — CID 108919297

IUPACtert-butyl N-[3-oxo-3-[[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-4-yl]methylamino]propyl]carbamate
SMILESCC(C)N1CC(C(=O)N2CCC(CNC(=O)CCNC(=O)OC(C)(C)C)CC2)CC1=O
InChIInChI=1S/C22H38N4O5/c1-15(2)26-14-17(12-19(26)28)20(29)25-10-7-16(8-11-25)13-24-18(27)6-9-23-21(30)31-22(3,4)5/h15-17H,6-14H2,1-5H3,(H,23,30)(H,24,27)
InChIKeyYYPXCMNOBMSQOA-UHFFFAOYSA-N
MW438.57 g/mol
LogP1.51
Rot. Bonds7

About tert-butyl N-[3-oxo-3-[[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-4-yl]methylamino]propyl]carbamate

tert-butyl N-[3-oxo-3-[[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-4-yl]methylamino]propyl]carbamate (PubChem CID 108919297) has the molecular formula C22H38N4O5 and a molecular weight of 438.57 g/mol. Its IUPAC name is tert-butyl N-[3-oxo-3-[[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-4-yl]methylamino]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-oxo-3-[[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-4-yl]methylamino]propyl]carbamate
PubChem CID108919297
Molecular FormulaC22H38N4O5
Molecular Weight438.57 g/mol
Exact Mass438.28
IUPAC Nametert-butyl N-[3-oxo-3-[[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-4-yl]methylamino]propyl]carbamate
SMILESCC(C)N1CC(C(=O)N2CCC(CNC(=O)CCNC(=O)OC(C)(C)C)CC2)CC1=O
InChIInChI=1S/C22H38N4O5/c1-15(2)26-14-17(12-19(26)28)20(29)25-10-7-16(8-11-25)13-24-18(27)6-9-23-21(30)31-22(3,4)5/h15-17H,6-14H2,1-5H3,(H,23,30)(H,24,27)
InChIKeyYYPXCMNOBMSQOA-UHFFFAOYSA-N
XLogP1.51
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.57
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[3-oxo-3-[[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-4-yl]methylamino]propyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[3-[[1-(cyclopentanecarbonyl)piperidin-4-yl]methylamino]-3-oxopropyl]carbamate
CID 108919505
tert-butyl N-[3-[[1-(cyclohexanecarbonyl)piperidin-4-yl]methylamino]-3-oxopropyl]carbamate
CID 108919227
tert-butyl N-[3-oxo-3-[2-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]ethylamino]propyl]carbamate
CID 108537211
tert-butyl N-[3-oxo-3-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methylamino]propyl]carbamate
CID 108919197
tert-butyl N-[3-[4-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)piperazin-1-yl]-3-oxopropyl]carbamate
CID 108532932
tert-butyl N-[3-oxo-3-[[1-(3,4,5-trihydroxybenzoyl)piperidin-4-yl]methylamino]propyl]carbamate
CID 108919263
tert-butyl N-[2-[[1-(1-benzyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]methylamino]-2-oxoethyl]carbamate
CID 108916415
tert-butyl N-[3-[[1-(2,2-diphenylacetyl)piperidin-4-yl]methylamino]-3-oxopropyl]carbamate
CID 108919219
tert-butyl N-[3-[4-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)-1,4-diazepan-1-yl]-3-oxopropyl]carbamate
CID 108543215
4-[4-(ethylaminomethyl)piperidine-1-carbonyl]-1-pentan-2-ylpyrrolidin-2-one
CID 119646804
tert-butyl N-[3-[[1-[2-(2-methylphenyl)acetyl]piperidin-4-yl]methylamino]-3-oxopropyl]carbamate
CID 108919451
tert-butyl N-[3-[[1-(4-bromobenzoyl)piperidin-4-yl]methylamino]-3-oxopropyl]carbamate
CID 108919241

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-oxo-3-[[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-4-yl]methylamino]propyl]carbamate?
The IUPAC name of tert-butyl N-[3-oxo-3-[[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-4-yl]methylamino]propyl]carbamate (CID 108919297) is tert-butyl N-[3-oxo-3-[[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-4-yl]methylamino]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-oxo-3-[[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-4-yl]methylamino]propyl]carbamate?
The canonical SMILES for tert-butyl N-[3-oxo-3-[[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-4-yl]methylamino]propyl]carbamate is CC(C)N1CC(C(=O)N2CCC(CNC(=O)CCNC(=O)OC(C)(C)C)CC2)CC1=O.
What is the InChIKey of tert-butyl N-[3-oxo-3-[[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-4-yl]methylamino]propyl]carbamate?
The InChIKey is YYPXCMNOBMSQOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38N4O5/c1-15(2)26-14-17(12-19(26)28)20(29)25-10-7-16(8-11-25)13-24-18(27)6-9-23-21(30)31-22(3,4)5/h15-17H,6-14H2,1-5H3,(H,23,30)(H,24,27).
What are the key properties of tert-butyl N-[3-oxo-3-[[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-4-yl]methylamino]propyl]carbamate?
tert-butyl N-[3-oxo-3-[[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-4-yl]methylamino]propyl]carbamate has a molecular weight of 438.57 g/mol, XLogP of 1.51, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-oxo-3-[[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-4-yl]methylamino]propyl]carbamate is sourced from PubChem (CID 108919297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).