tert-butyl 4-(3-carbamoylpiperidin-1-yl)-4-oxobutanoate

C14H24N2O4 — CID 106706926

IUPACtert-butyl 4-(3-carbamoylpiperidin-1-yl)-4-oxobutanoate
SMILESCC(C)(C)OC(=O)CCC(=O)N1CCCC(C(N)=O)C1
InChIInChI=1S/C14H24N2O4/c1-14(2,3)20-12(18)7-6-11(17)16-8-4-5-10(9-16)13(15)19/h10H,4-9H2,1-3H3,(H2,15,19)
InChIKeyMCLDKYLPWGUWJO-UHFFFAOYSA-N
MW284.36 g/mol
LogP0.83
Rot. Bonds4

About tert-butyl 4-(3-carbamoylpiperidin-1-yl)-4-oxobutanoate

tert-butyl 4-(3-carbamoylpiperidin-1-yl)-4-oxobutanoate (PubChem CID 106706926) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is tert-butyl 4-(3-carbamoylpiperidin-1-yl)-4-oxobutanoate.

Molecular Properties

Compound Nametert-butyl 4-(3-carbamoylpiperidin-1-yl)-4-oxobutanoate
PubChem CID106706926
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Nametert-butyl 4-(3-carbamoylpiperidin-1-yl)-4-oxobutanoate
SMILESCC(C)(C)OC(=O)CCC(=O)N1CCCC(C(N)=O)C1
InChIInChI=1S/C14H24N2O4/c1-14(2,3)20-12(18)7-6-11(17)16-8-4-5-10(9-16)13(15)19/h10H,4-9H2,1-3H3,(H2,15,19)
InChIKeyMCLDKYLPWGUWJO-UHFFFAOYSA-N
XLogP0.83
TPSA89.70 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 ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-amino-4,4-dimethylhexanoyl)piperidine-3-carboxamide
CID 65292570
methyl 3-(3-carbamoylpiperidin-1-yl)-3-oxopropanoate
CID 134069304
1-(3-chloropropanoyl)piperidine-3-carboxamide
CID 16785427
1-(4-ethoxy-4-oxobutanoyl)piperidine-3-carboxylic acid
CID 43355863
tert-butyl 4-(3,5-dimethylpiperidin-1-yl)-4-oxobutanoate
CID 106706964
(3R)-1-(2-chloroacetyl)piperidine-3-carboxamide
CID 9115268
1-[4-(3-carboxypiperidin-1-yl)-4-oxobutanoyl]piperidine-3-carboxylic acid
CID 57094658
1-[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propanoyl]piperidine-3-carboxylate
CID 22611912
tert-butyl 4-oxo-4-(2-propan-2-ylpyrrolidin-1-yl)butanoate
CID 106707539
[amino-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]methylidene]azanium chloride
CID 86767264
tert-butyl 3-(2-aminoacetyl)piperidine-1-carboxylate
CID 82386816
(3R)-1-[2-[(1-cycloheptyl-2-methylpropan-2-yl)amino]acetyl]piperidine-3-carboxamide
CID 99778459

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(3-carbamoylpiperidin-1-yl)-4-oxobutanoate?
The IUPAC name of tert-butyl 4-(3-carbamoylpiperidin-1-yl)-4-oxobutanoate (CID 106706926) is tert-butyl 4-(3-carbamoylpiperidin-1-yl)-4-oxobutanoate.
What is the SMILES notation for tert-butyl 4-(3-carbamoylpiperidin-1-yl)-4-oxobutanoate?
The canonical SMILES for tert-butyl 4-(3-carbamoylpiperidin-1-yl)-4-oxobutanoate is CC(C)(C)OC(=O)CCC(=O)N1CCCC(C(N)=O)C1.
What is the InChIKey of tert-butyl 4-(3-carbamoylpiperidin-1-yl)-4-oxobutanoate?
The InChIKey is MCLDKYLPWGUWJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-14(2,3)20-12(18)7-6-11(17)16-8-4-5-10(9-16)13(15)19/h10H,4-9H2,1-3H3,(H2,15,19).
What are the key properties of tert-butyl 4-(3-carbamoylpiperidin-1-yl)-4-oxobutanoate?
tert-butyl 4-(3-carbamoylpiperidin-1-yl)-4-oxobutanoate has a molecular weight of 284.36 g/mol, XLogP of 0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(3-carbamoylpiperidin-1-yl)-4-oxobutanoate is sourced from PubChem (CID 106706926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).