tert-butyl 2-[4-(methylcarbamoyl)piperidin-1-yl]propanoate

C14H26N2O3 — CID 64687530

IUPACtert-butyl 2-[4-(methylcarbamoyl)piperidin-1-yl]propanoate
SMILESCNC(=O)C1CCN(C(C)C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C14H26N2O3/c1-10(13(18)19-14(2,3)4)16-8-6-11(7-9-16)12(17)15-5/h10-11H,6-9H2,1-5H3,(H,15,17)
InChIKeyCBXDIGLLPZQNKA-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.17
Rot. Bonds3

About tert-butyl 2-[4-(methylcarbamoyl)piperidin-1-yl]propanoate

tert-butyl 2-[4-(methylcarbamoyl)piperidin-1-yl]propanoate (PubChem CID 64687530) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is tert-butyl 2-[4-(methylcarbamoyl)piperidin-1-yl]propanoate.

Molecular Properties

Compound Nametert-butyl 2-[4-(methylcarbamoyl)piperidin-1-yl]propanoate
PubChem CID64687530
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Nametert-butyl 2-[4-(methylcarbamoyl)piperidin-1-yl]propanoate
SMILESCNC(=O)C1CCN(C(C)C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C14H26N2O3/c1-10(13(18)19-14(2,3)4)16-8-6-11(7-9-16)12(17)15-5/h10-11H,6-9H2,1-5H3,(H,15,17)
InChIKeyCBXDIGLLPZQNKA-UHFFFAOYSA-N
XLogP1.17
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 2-(3-tert-butylpyrrolidin-1-yl)propanoate
CID 113415029
tert-butyl 2-(3-ethylpyrrolidin-1-yl)propanoate
CID 115688615
tert-butyl 2-[3-(hydroxymethyl)pyrrolidin-1-yl]propanoate
CID 112692616
(3R)-N-methyl-1-propan-2-ylpyrrolidine-3-carboxamide
CID 130272211
1-(2-aminopropyl)-N-methylpiperidine-4-carboxamide
CID 102688944
tert-butyl (2S)-2-(cyclopropanecarbonylamino)-3-methylbutanoate
CID 80707687
2-methyl-3-[4-(methylcarbamoyl)piperidin-1-yl]butanoic acid
CID 79406833
tert-butyl 2-(4,4-dimethylazepan-1-yl)propanoate
CID 65438547
methyl (2R)-2-[4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidin-1-yl]propanoate
CID 95299629
tert-butyl 4-[2-(4-methylpiperidin-1-yl)propylcarbamoyl]piperidine-1-carboxylate
CID 110620686
ethyl 4-(methylcarbamoyl)piperidine-1-carboxylate
CID 60637131
1-[1-(4-chlorophenyl)-1-oxopropan-2-yl]-N-methylpiperidine-4-carboxamide
CID 62037525

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[4-(methylcarbamoyl)piperidin-1-yl]propanoate?
The IUPAC name of tert-butyl 2-[4-(methylcarbamoyl)piperidin-1-yl]propanoate (CID 64687530) is tert-butyl 2-[4-(methylcarbamoyl)piperidin-1-yl]propanoate.
What is the SMILES notation for tert-butyl 2-[4-(methylcarbamoyl)piperidin-1-yl]propanoate?
The canonical SMILES for tert-butyl 2-[4-(methylcarbamoyl)piperidin-1-yl]propanoate is CNC(=O)C1CCN(C(C)C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 2-[4-(methylcarbamoyl)piperidin-1-yl]propanoate?
The InChIKey is CBXDIGLLPZQNKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-10(13(18)19-14(2,3)4)16-8-6-11(7-9-16)12(17)15-5/h10-11H,6-9H2,1-5H3,(H,15,17).
What are the key properties of tert-butyl 2-[4-(methylcarbamoyl)piperidin-1-yl]propanoate?
tert-butyl 2-[4-(methylcarbamoyl)piperidin-1-yl]propanoate has a molecular weight of 270.37 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[4-(methylcarbamoyl)piperidin-1-yl]propanoate is sourced from PubChem (CID 64687530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).