ethyl 1-(5-amino-2-methylpentanoyl)piperidine-4-carboxylate

C14H26N2O3 — CID 104683579

IUPACethyl 1-(5-amino-2-methylpentanoyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)C(C)CCCN)CC1
InChIInChI=1S/C14H26N2O3/c1-3-19-14(18)12-6-9-16(10-7-12)13(17)11(2)5-4-8-15/h11-12H,3-10,15H2,1-2H3
InChIKeyJSLDERCWNCFAGV-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.16
Rot. Bonds6

About ethyl 1-(5-amino-2-methylpentanoyl)piperidine-4-carboxylate

ethyl 1-(5-amino-2-methylpentanoyl)piperidine-4-carboxylate (PubChem CID 104683579) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is ethyl 1-(5-amino-2-methylpentanoyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(5-amino-2-methylpentanoyl)piperidine-4-carboxylate
PubChem CID104683579
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Nameethyl 1-(5-amino-2-methylpentanoyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)C(C)CCCN)CC1
InChIInChI=1S/C14H26N2O3/c1-3-19-14(18)12-6-9-16(10-7-12)13(17)11(2)5-4-8-15/h11-12H,3-10,15H2,1-2H3
InChIKeyJSLDERCWNCFAGV-UHFFFAOYSA-N
XLogP1.16
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 4-carbamoylpiperidine-1-carboxylate
CID 3242068
Ethyl 1-acetylpiperidine-4-carboxylate
CID 690430
Ethyl 1-(3-methylbutanoyl)piperidine-4-carboxylate
CID 670003
Ethyl 4-[[3-(diethylcarbamoyl)piperidine-1-carbonyl]amino]butanoate
CID 172436559
2-(Aminomethyl)-1-[4-(methoxymethyl)piperidin-1-yl]-4-methylpentan-1-one
CID 75494909
Ethyl 2-[1-(piperidine-4-carbonyl)piperidin-4-yl]acetate
CID 119043361
Ethyl 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate
CID 1164515
Isonipecotic acid, N-(3-methylbutyryl)-, propyl ester
CID 91725535
Isonipecotic acid, N-(3-methylbutyryl)-, butyl ester
CID 91728398
Isonipecotic acid, N-(3-methylbutyryl)-, isohexyl ester
CID 91734424
Ethyl 1-[4-[acetyl(methyl)amino]but-2-ynyl]piperidine-4-carboxylate
CID 14896509
Ethyl 4-(((1-isopropylpiperidin-4-yl)methyl)amino)-4-oxobutanoate
CID 45558420

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(5-amino-2-methylpentanoyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(5-amino-2-methylpentanoyl)piperidine-4-carboxylate (CID 104683579) is ethyl 1-(5-amino-2-methylpentanoyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(5-amino-2-methylpentanoyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(5-amino-2-methylpentanoyl)piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)C(C)CCCN)CC1.
What is the InChIKey of ethyl 1-(5-amino-2-methylpentanoyl)piperidine-4-carboxylate?
The InChIKey is JSLDERCWNCFAGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-3-19-14(18)12-6-9-16(10-7-12)13(17)11(2)5-4-8-15/h11-12H,3-10,15H2,1-2H3.
What are the key properties of ethyl 1-(5-amino-2-methylpentanoyl)piperidine-4-carboxylate?
ethyl 1-(5-amino-2-methylpentanoyl)piperidine-4-carboxylate has a molecular weight of 270.37 g/mol, XLogP of 1.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(5-amino-2-methylpentanoyl)piperidine-4-carboxylate is sourced from PubChem (CID 104683579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).