tert-butyl N-[1-[2-[[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]amino]-2-oxoethyl]piperidin-4-yl]carbamate

C18H31N5O5 — CID 51729430

About tert-butyl N-[1-[2-[[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]amino]-2-oxoethyl]piperidin-4-yl]carbamate

tert-butyl N-[1-[2-[[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]amino]-2-oxoethyl]piperidin-4-yl]carbamate (PubChem CID 51729430) has the molecular formula C18H31N5O5 and a molecular weight of 397.48 g/mol. Its IUPAC name is tert-butyl N-[1-[2-[[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]amino]-2-oxoethyl]piperidin-4-yl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[1-[2-[[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]amino]-2-oxoethyl]piperidin-4-yl]carbamate
• PubChem CID: 51729430
• Molecular Formula: C18H31N5O5
• Molecular Weight: 397.48 g/mol
• Exact Mass: 397.23
• IUPAC Name: tert-butyl N-[1-[2-[[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]amino]-2-oxoethyl]piperidin-4-yl]carbamate
• SMILES: CC[C@@]1(C)NC(=O)N(NC(=O)CN2CCC(NC(=O)OC(C)(C)C)CC2)C1=O
• InChI: InChI=1S/C18H31N5O5/c1-6-18(5)14(25)23(15(26)20-18)21-13(24)11-22-9-7-12(8-10-22)19-16(27)28-17(2,3)4/h12H,6-11H2,1-5H3,(H,19,27)(H,20,26)(H,21,24)/t18-/m1/s1
• InChIKey: ZHYLJFVCFRPFNV-GOSISDBHSA-N
• XLogP: 0.73
• TPSA: 120.08 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	397.48
LogP ≤ 5	0.73
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[2-[[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]amino]-2-oxoethyl]piperidin-4-yl]carbamate?

The IUPAC name of tert-butyl N-[1-[2-[[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]amino]-2-oxoethyl]piperidin-4-yl]carbamate (CID 51729430) is tert-butyl N-[1-[2-[[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]amino]-2-oxoethyl]piperidin-4-yl]carbamate.

What is the SMILES notation for tert-butyl N-[1-[2-[[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]amino]-2-oxoethyl]piperidin-4-yl]carbamate?

The canonical SMILES for tert-butyl N-[1-[2-[[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]amino]-2-oxoethyl]piperidin-4-yl]carbamate is CC[C@@]1(C)NC(=O)N(NC(=O)CN2CCC(NC(=O)OC(C)(C)C)CC2)C1=O.

What is the InChIKey of tert-butyl N-[1-[2-[[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]amino]-2-oxoethyl]piperidin-4-yl]carbamate?

The InChIKey is ZHYLJFVCFRPFNV-GOSISDBHSA-N. The full InChI is InChI=1S/C18H31N5O5/c1-6-18(5)14(25)23(15(26)20-18)21-13(24)11-22-9-7-12(8-10-22)19-16(27)28-17(2,3)4/h12H,6-11H2,1-5H3,(H,19,27)(H,20,26)(H,21,24)/t18-/m1/s1.

What are the key properties of tert-butyl N-[1-[2-[[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]amino]-2-oxoethyl]piperidin-4-yl]carbamate?

tert-butyl N-[1-[2-[[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]amino]-2-oxoethyl]piperidin-4-yl]carbamate has a molecular weight of 397.48 g/mol, XLogP of 0.73, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[1-[2-[[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]amino]-2-oxoethyl]piperidin-4-yl]carbamate is sourced from PubChem (CID 51729430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).