ethyl 2-[2-(methylcarbamoyl)piperidin-1-yl]butanoate

C13H24N2O3 — CID 64663491

IUPACethyl 2-[2-(methylcarbamoyl)piperidin-1-yl]butanoate
SMILESCCOC(=O)C(CC)N1CCCCC1C(=O)NC
InChIInChI=1S/C13H24N2O3/c1-4-10(13(17)18-5-2)15-9-7-6-8-11(15)12(16)14-3/h10-11H,4-9H2,1-3H3,(H,14,16)
InChIKeyQAXRAYMODJWECJ-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.93
Rot. Bonds5

About ethyl 2-[2-(methylcarbamoyl)piperidin-1-yl]butanoate

ethyl 2-[2-(methylcarbamoyl)piperidin-1-yl]butanoate (PubChem CID 64663491) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is ethyl 2-[2-(methylcarbamoyl)piperidin-1-yl]butanoate.

Molecular Properties

Compound Nameethyl 2-[2-(methylcarbamoyl)piperidin-1-yl]butanoate
PubChem CID64663491
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Nameethyl 2-[2-(methylcarbamoyl)piperidin-1-yl]butanoate
SMILESCCOC(=O)C(CC)N1CCCCC1C(=O)NC
InChIInChI=1S/C13H24N2O3/c1-4-10(13(17)18-5-2)15-9-7-6-8-11(15)12(16)14-3/h10-11H,4-9H2,1-3H3,(H,14,16)
InChIKeyQAXRAYMODJWECJ-UHFFFAOYSA-N
XLogP0.93
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(2-carbamoylpyrrolidin-1-yl)butanoate
CID 64662468
1-(1-hydrazinyl-1-oxobutan-2-yl)-N-methylpyrrolidine-2-carboxamide
CID 63577874
2-[2-(methylcarbamoyl)piperidin-1-yl]pentanoic acid
CID 83041390
ethyl 2-[2-(hydroxymethyl)piperidin-1-yl]butanoate
CID 64662609
ethyl 2-(2-cyanopiperidin-1-yl)butanoate
CID 64661949
ethyl 2-(2-cyclopentylpyrrolidin-1-yl)butanoate
CID 64662882
ethyl 2-[2-(2-oxopropyl)azepan-1-yl]butanoate
CID 79560859
2-(2-carbamothioylpiperidin-1-yl)butanoic acid
CID 64662154
N-methyl-1-propan-2-ylpyrrolidine-2-carboxamide
CID 21355300
methyl 1-(1-ethoxy-1-oxopropan-2-yl)piperidine-2-carboxylate
CID 115536932
1-butanoyl-N-methylpyrrolidine-2-carboxamide
CID 61060939
1-(2-aminopropyl)-N-methylpiperidine-2-carboxamide
CID 102688966

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(methylcarbamoyl)piperidin-1-yl]butanoate?
The IUPAC name of ethyl 2-[2-(methylcarbamoyl)piperidin-1-yl]butanoate (CID 64663491) is ethyl 2-[2-(methylcarbamoyl)piperidin-1-yl]butanoate.
What is the SMILES notation for ethyl 2-[2-(methylcarbamoyl)piperidin-1-yl]butanoate?
The canonical SMILES for ethyl 2-[2-(methylcarbamoyl)piperidin-1-yl]butanoate is CCOC(=O)C(CC)N1CCCCC1C(=O)NC.
What is the InChIKey of ethyl 2-[2-(methylcarbamoyl)piperidin-1-yl]butanoate?
The InChIKey is QAXRAYMODJWECJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-4-10(13(17)18-5-2)15-9-7-6-8-11(15)12(16)14-3/h10-11H,4-9H2,1-3H3,(H,14,16).
What are the key properties of ethyl 2-[2-(methylcarbamoyl)piperidin-1-yl]butanoate?
ethyl 2-[2-(methylcarbamoyl)piperidin-1-yl]butanoate has a molecular weight of 256.35 g/mol, XLogP of 0.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(methylcarbamoyl)piperidin-1-yl]butanoate is sourced from PubChem (CID 64663491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).