tert-butyl N-[2-[4-[[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]methyl]piperidin-1-yl]-2-oxoethyl]carbamate

C25H36N4O5 — CID 108916416

IUPACtert-butyl N-[2-[4-[[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]methyl]piperidin-1-yl]-2-oxoethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(=O)N1CCC(CNC(=O)C2CC(=O)N(Cc3ccccc3)C2)CC1
InChIInChI=1S/C25H36N4O5/c1-25(2,3)34-24(33)27-15-22(31)28-11-9-18(10-12-28)14-26-23(32)20-13-21(30)29(17-20)16-19-7-5-4-6-8-19/h4-8,18,20H,9-17H2,1-3H3,(H,26,32)(H,27,33)
InChIKeyMSYJFEQRAIXKEI-UHFFFAOYSA-N
MW472.59 g/mol
LogP1.91
Rot. Bonds7

About tert-butyl N-[2-[4-[[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]methyl]piperidin-1-yl]-2-oxoethyl]carbamate

tert-butyl N-[2-[4-[[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]methyl]piperidin-1-yl]-2-oxoethyl]carbamate (PubChem CID 108916416) has the molecular formula C25H36N4O5 and a molecular weight of 472.59 g/mol. Its IUPAC name is tert-butyl N-[2-[4-[[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]methyl]piperidin-1-yl]-2-oxoethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[4-[[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]methyl]piperidin-1-yl]-2-oxoethyl]carbamate
PubChem CID108916416
Molecular FormulaC25H36N4O5
Molecular Weight472.59 g/mol
Exact Mass472.27
IUPAC Nametert-butyl N-[2-[4-[[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]methyl]piperidin-1-yl]-2-oxoethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(=O)N1CCC(CNC(=O)C2CC(=O)N(Cc3ccccc3)C2)CC1
InChIInChI=1S/C25H36N4O5/c1-25(2,3)34-24(33)27-15-22(31)28-11-9-18(10-12-28)14-26-23(32)20-13-21(30)29(17-20)16-19-7-5-4-6-8-19/h4-8,18,20H,9-17H2,1-3H3,(H,26,32)(H,27,33)
InChIKeyMSYJFEQRAIXKEI-UHFFFAOYSA-N
XLogP1.91
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.59
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[2-[4-[[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]methyl]piperidin-1-yl]-2-oxoethyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[2-[[1-(1-benzyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]methylamino]-2-oxoethyl]carbamate
CID 108916415
tert-butyl N-[2-[4-[(cyclopropanecarbonylamino)methyl]piperidin-1-yl]-2-oxoethyl]carbamate
CID 108916482
tert-butyl N-[2-[2-[[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]methyl]anilino]-2-oxoethyl]carbamate
CID 108917989
tert-butyl N-[2-[3-[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]anilino]-2-oxoethyl]carbamate
CID 108917137
tert-butyl N-[2-oxo-2-[[1-(3-phenylpropanoyl)piperidin-4-yl]methylamino]ethyl]carbamate
CID 108916489
N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]cyclopropanecarboxamide
CID 16919256
methyl 2-[[(3R)-1-benzyl-5-oxopyrrolidine-3-carbonyl]amino]-2-methylpropanoate
CID 51881440
methyl 2-[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]-2-methylpropanoate
CID 43074328
N-[[1-(1-benzyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]methyl]-2-cyanoacetamide
CID 108922031
1-benzyl-N-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carboxamide
CID 4827205
tert-butyl N-[2-[4-[[(4-tert-butylbenzoyl)amino]methyl]piperidin-1-yl]-2-oxoethyl]carbamate
CID 108916462
tert-butyl 4-[(3S)-1-benzyl-5-oxopyrrolidine-3-carbonyl]piperazine-1-carboxylate
CID 29127771

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[4-[[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]methyl]piperidin-1-yl]-2-oxoethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[4-[[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]methyl]piperidin-1-yl]-2-oxoethyl]carbamate (CID 108916416) is tert-butyl N-[2-[4-[[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]methyl]piperidin-1-yl]-2-oxoethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[4-[[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]methyl]piperidin-1-yl]-2-oxoethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[4-[[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]methyl]piperidin-1-yl]-2-oxoethyl]carbamate is CC(C)(C)OC(=O)NCC(=O)N1CCC(CNC(=O)C2CC(=O)N(Cc3ccccc3)C2)CC1.
What is the InChIKey of tert-butyl N-[2-[4-[[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]methyl]piperidin-1-yl]-2-oxoethyl]carbamate?
The InChIKey is MSYJFEQRAIXKEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N4O5/c1-25(2,3)34-24(33)27-15-22(31)28-11-9-18(10-12-28)14-26-23(32)20-13-21(30)29(17-20)16-19-7-5-4-6-8-19/h4-8,18,20H,9-17H2,1-3H3,(H,26,32)(H,27,33).
What are the key properties of tert-butyl N-[2-[4-[[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]methyl]piperidin-1-yl]-2-oxoethyl]carbamate?
tert-butyl N-[2-[4-[[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]methyl]piperidin-1-yl]-2-oxoethyl]carbamate has a molecular weight of 472.59 g/mol, XLogP of 1.91, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[4-[[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]methyl]piperidin-1-yl]-2-oxoethyl]carbamate is sourced from PubChem (CID 108916416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).