tert-butyl 4-[(1-methyl-6-oxopiperidin-3-yl)amino]-4-oxobutanoate

C14H24N2O4 — CID 106707504

IUPACtert-butyl 4-[(1-methyl-6-oxopiperidin-3-yl)amino]-4-oxobutanoate
SMILESCN1CC(NC(=O)CCC(=O)OC(C)(C)C)CCC1=O
InChIInChI=1S/C14H24N2O4/c1-14(2,3)20-13(19)8-6-11(17)15-10-5-7-12(18)16(4)9-10/h10H,5-9H2,1-4H3,(H,15,17)
InChIKeyTYACJLCQHSAFGE-UHFFFAOYSA-N
MW284.36 g/mol
LogP0.85
Rot. Bonds4

About tert-butyl 4-[(1-methyl-6-oxopiperidin-3-yl)amino]-4-oxobutanoate

tert-butyl 4-[(1-methyl-6-oxopiperidin-3-yl)amino]-4-oxobutanoate (PubChem CID 106707504) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is tert-butyl 4-[(1-methyl-6-oxopiperidin-3-yl)amino]-4-oxobutanoate.

Molecular Properties

Compound Nametert-butyl 4-[(1-methyl-6-oxopiperidin-3-yl)amino]-4-oxobutanoate
PubChem CID106707504
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Nametert-butyl 4-[(1-methyl-6-oxopiperidin-3-yl)amino]-4-oxobutanoate
SMILESCN1CC(NC(=O)CCC(=O)OC(C)(C)C)CCC1=O
InChIInChI=1S/C14H24N2O4/c1-14(2,3)20-13(19)8-6-11(17)15-10-5-7-12(18)16(4)9-10/h10H,5-9H2,1-4H3,(H,15,17)
InChIKeyTYACJLCQHSAFGE-UHFFFAOYSA-N
XLogP0.85
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl 4-[(1-methyl-6-oxopiperidin-3-yl)amino]-4-oxobutanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-(6-oxopiperidin-3-yl)carbamate
CID 57415846
(S)-tert-butyl 6-oxopiperidin-3-ylcarbamate
CID 15466433
tert-butyl (3S)-4-(5,5-difluoro-2-oxopiperidin-1-yl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 66553307
Tert-butyl 4-(5,5-difluoro-2-oxopiperidin-1-yl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 66611898
4-Boc-piperidinone
CID 22318161
Methyl 4-oxo-4-(piperidin-3-ylamino)butanoate
CID 53688237
tert-butyl 4-[(2S)-2-carbamoylpyrrolidin-1-yl]-4-oxobutanoate
CID 59151515
2-Methylbutan-2-yl 2-oxopiperidine-4-carboxylate
CID 66790693
(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(2-oxopiperidin-1-yl)butanoic acid
CID 66969782
tert-butyl (3S)-4-[(5S)-5-methyl-2-oxopiperidin-1-yl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 66969955
4-((S)-3-Methyl-2-oxo-piperazin-1-yl)-butyric acid tert-butyl ester
CID 67074075
Tert-butyl 4-(3-methyl-2-oxopiperazin-1-yl)butanoate
CID 67086958

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(1-methyl-6-oxopiperidin-3-yl)amino]-4-oxobutanoate?
The IUPAC name of tert-butyl 4-[(1-methyl-6-oxopiperidin-3-yl)amino]-4-oxobutanoate (CID 106707504) is tert-butyl 4-[(1-methyl-6-oxopiperidin-3-yl)amino]-4-oxobutanoate.
What is the SMILES notation for tert-butyl 4-[(1-methyl-6-oxopiperidin-3-yl)amino]-4-oxobutanoate?
The canonical SMILES for tert-butyl 4-[(1-methyl-6-oxopiperidin-3-yl)amino]-4-oxobutanoate is CN1CC(NC(=O)CCC(=O)OC(C)(C)C)CCC1=O.
What is the InChIKey of tert-butyl 4-[(1-methyl-6-oxopiperidin-3-yl)amino]-4-oxobutanoate?
The InChIKey is TYACJLCQHSAFGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-14(2,3)20-13(19)8-6-11(17)15-10-5-7-12(18)16(4)9-10/h10H,5-9H2,1-4H3,(H,15,17).
What are the key properties of tert-butyl 4-[(1-methyl-6-oxopiperidin-3-yl)amino]-4-oxobutanoate?
tert-butyl 4-[(1-methyl-6-oxopiperidin-3-yl)amino]-4-oxobutanoate has a molecular weight of 284.36 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(1-methyl-6-oxopiperidin-3-yl)amino]-4-oxobutanoate is sourced from PubChem (CID 106707504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).