methyl 1-(2-acetamido-3-methylbutanoyl)piperidine-3-carboxylate

C14H24N2O4 — CID 78919163

IUPACmethyl 1-(2-acetamido-3-methylbutanoyl)piperidine-3-carboxylate
SMILESCOC(=O)C1CCCN(C(=O)C(NC(C)=O)C(C)C)C1
InChIInChI=1S/C14H24N2O4/c1-9(2)12(15-10(3)17)13(18)16-7-5-6-11(8-16)14(19)20-4/h9,11-12H,5-8H2,1-4H3,(H,15,17)
InChIKeyYUXNFTDYCPAAOC-UHFFFAOYSA-N
MW284.36 g/mol
LogP0.56
Rot. Bonds4

About methyl 1-(2-acetamido-3-methylbutanoyl)piperidine-3-carboxylate

methyl 1-(2-acetamido-3-methylbutanoyl)piperidine-3-carboxylate (PubChem CID 78919163) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is methyl 1-(2-acetamido-3-methylbutanoyl)piperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-acetamido-3-methylbutanoyl)piperidine-3-carboxylate
PubChem CID78919163
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Namemethyl 1-(2-acetamido-3-methylbutanoyl)piperidine-3-carboxylate
SMILESCOC(=O)C1CCCN(C(=O)C(NC(C)=O)C(C)C)C1
InChIInChI=1S/C14H24N2O4/c1-9(2)12(15-10(3)17)13(18)16-7-5-6-11(8-16)14(19)20-4/h9,11-12H,5-8H2,1-4H3,(H,15,17)
InChIKeyYUXNFTDYCPAAOC-UHFFFAOYSA-N
XLogP0.56
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 ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-Cyclopropylcarbamoylmethyl-piperidine-3-carboxylic acid ethyl ester
CID 653879
methyl 5-[[(2S)-2-acetamido-4-methylpentanoyl]amino]-4-oxopentanoate
CID 12183994
rac-1-tert-butyl 3-methyl (3R,5S)-5-aminopiperidine-1,3-dicarboxylate
CID 53677987
methyl 5-[[(2R)-2-acetamido-4-methylpentanoyl]amino]-4-oxopentanoate
CID 44186390
Cyclo-(L-Leu-N-ethyl-L-Glu)
CID 170989636
Ethyl 1-(2-aminoacetyl)piperidine-3-carboxylate hydrochloride
CID 44631043
Ethyl 1-(2-(methylamino)acetyl)piperidine-3-carboxylate
CID 47003233
Methyl 5-(dimethylamino)piperidine-3-carboxylate
CID 83828932
1-(2-Aminopropanoyl)piperidine-3-carboxylic acid hydrochloride
CID 132344115
1-(2-{[(Tert-butoxy)carbonyl]amino}propanoyl)piperidine-3-carboxylic acid
CID 137704378
1-[2-(Cyclopropylamino)-2-keto-ethyl]nipecotic acid ethyl ester;oxalic acid
CID 653880
1-[1-(Butylamino)-1-oxopropan-2-yl]piperidine-3-carboxylic acid
CID 43440657

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-acetamido-3-methylbutanoyl)piperidine-3-carboxylate?
The IUPAC name of methyl 1-(2-acetamido-3-methylbutanoyl)piperidine-3-carboxylate (CID 78919163) is methyl 1-(2-acetamido-3-methylbutanoyl)piperidine-3-carboxylate.
What is the SMILES notation for methyl 1-(2-acetamido-3-methylbutanoyl)piperidine-3-carboxylate?
The canonical SMILES for methyl 1-(2-acetamido-3-methylbutanoyl)piperidine-3-carboxylate is COC(=O)C1CCCN(C(=O)C(NC(C)=O)C(C)C)C1.
What is the InChIKey of methyl 1-(2-acetamido-3-methylbutanoyl)piperidine-3-carboxylate?
The InChIKey is YUXNFTDYCPAAOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-9(2)12(15-10(3)17)13(18)16-7-5-6-11(8-16)14(19)20-4/h9,11-12H,5-8H2,1-4H3,(H,15,17).
What are the key properties of methyl 1-(2-acetamido-3-methylbutanoyl)piperidine-3-carboxylate?
methyl 1-(2-acetamido-3-methylbutanoyl)piperidine-3-carboxylate has a molecular weight of 284.36 g/mol, XLogP of 0.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-acetamido-3-methylbutanoyl)piperidine-3-carboxylate is sourced from PubChem (CID 78919163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).