tert-butyl 4-[1-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopyrrolidin-3-yl]piperidine-1-carboxylate

C19H32N2O5 — CID 140836238

IUPACtert-butyl 4-[1-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopyrrolidin-3-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C2CCN(C(=O)OC(C)(C)C)C2=O)CC1
InChIInChI=1S/C19H32N2O5/c1-18(2,3)25-16(23)20-10-7-13(8-11-20)14-9-12-21(15(14)22)17(24)26-19(4,5)6/h13-14H,7-12H2,1-6H3
InChIKeyVGCQVZLMLWKRSX-UHFFFAOYSA-N
MW368.47 g/mol
LogP3.42
Rot. Bonds1

About tert-butyl 4-[1-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopyrrolidin-3-yl]piperidine-1-carboxylate

tert-butyl 4-[1-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopyrrolidin-3-yl]piperidine-1-carboxylate (PubChem CID 140836238) has the molecular formula C19H32N2O5 and a molecular weight of 368.47 g/mol. Its IUPAC name is tert-butyl 4-[1-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopyrrolidin-3-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[1-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopyrrolidin-3-yl]piperidine-1-carboxylate
PubChem CID140836238
Molecular FormulaC19H32N2O5
Molecular Weight368.47 g/mol
Exact Mass368.23
IUPAC Nametert-butyl 4-[1-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopyrrolidin-3-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C2CCN(C(=O)OC(C)(C)C)C2=O)CC1
InChIInChI=1S/C19H32N2O5/c1-18(2,3)25-16(23)20-10-7-13(8-11-20)14-9-12-21(15(14)22)17(24)26-19(4,5)6/h13-14H,7-12H2,1-6H3
InChIKeyVGCQVZLMLWKRSX-UHFFFAOYSA-N
XLogP3.42
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.47
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl 4-[1-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopyrrolidin-3-yl]piperidine-1-carboxylate with MolForge

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Related Compounds

1-Boc-4-(pyrrolidinocarbonyl)piperidine
CID 22741783
ditert-butyl (3aS,7aR)-7a-fluoro-1-oxo-3a,4,6,7-tetrahydro-3H-pyrrolo[3,4-c]pyridine-2,5-dicarboxylate
CID 163394162
Ditert-butyl 4-formyl-2,8-diazaspiro[4.5]decane-2,8-dicarboxylate
CID 135028914
1-[2-(N-Boc-piperidin-4-yl)ethyl]-(2-pyrrolidinone)
CID 19380957
Tert-butyl 4-[3-(3-methoxycarbonylpyrrolidin-1-yl)-3-oxopropyl]piperidine-1-carboxylate
CID 22611793
2-[3-[1-[(2-Methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-2,5-dioxopyrrolidin-1-yl]acetic acid
CID 22923937
3-Tert-butoxycarbonyl-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-one
CID 23653829
tert-butyl (1R,5S)-6,6-dimethyl-2-oxo-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 23653830
2,7-Diazaspiro[4.5]decane-7-carboxylic acid, 2-ethyl-1-oxo-, 1,1-dimethylethyl ester
CID 50878593
4-(2-Oxo-pyrrolidin-1-ylmethyl)-piperidine-1-carboxylic acid tert-butyl ester
CID 53722296
Tert-butyl 3-(2-ethylpyrrolidine-1-carbonyl)piperidine-1-carboxylate
CID 57822299
Tert-butyl 1-methyl-4-oxo-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 57871308

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[1-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopyrrolidin-3-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[1-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopyrrolidin-3-yl]piperidine-1-carboxylate (CID 140836238) is tert-butyl 4-[1-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopyrrolidin-3-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[1-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopyrrolidin-3-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[1-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopyrrolidin-3-yl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(C2CCN(C(=O)OC(C)(C)C)C2=O)CC1.
What is the InChIKey of tert-butyl 4-[1-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopyrrolidin-3-yl]piperidine-1-carboxylate?
The InChIKey is VGCQVZLMLWKRSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O5/c1-18(2,3)25-16(23)20-10-7-13(8-11-20)14-9-12-21(15(14)22)17(24)26-19(4,5)6/h13-14H,7-12H2,1-6H3.
What are the key properties of tert-butyl 4-[1-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopyrrolidin-3-yl]piperidine-1-carboxylate?
tert-butyl 4-[1-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopyrrolidin-3-yl]piperidine-1-carboxylate has a molecular weight of 368.47 g/mol, XLogP of 3.42, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[1-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopyrrolidin-3-yl]piperidine-1-carboxylate is sourced from PubChem (CID 140836238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).