ethyl 5-(3-aminopiperidin-1-yl)-4-oxopentanoate

C12H22N2O3 — CID 103484354

IUPACethyl 5-(3-aminopiperidin-1-yl)-4-oxopentanoate
SMILESCCOC(=O)CCC(=O)CN1CCCC(N)C1
InChIInChI=1S/C12H22N2O3/c1-2-17-12(16)6-5-11(15)9-14-7-3-4-10(13)8-14/h10H,2-9,13H2,1H3
InChIKeyJMFFNWPPAIBLAT-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.32
Rot. Bonds6

About ethyl 5-(3-aminopiperidin-1-yl)-4-oxopentanoate

ethyl 5-(3-aminopiperidin-1-yl)-4-oxopentanoate (PubChem CID 103484354) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is ethyl 5-(3-aminopiperidin-1-yl)-4-oxopentanoate.

Molecular Properties

Compound Nameethyl 5-(3-aminopiperidin-1-yl)-4-oxopentanoate
PubChem CID103484354
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Nameethyl 5-(3-aminopiperidin-1-yl)-4-oxopentanoate
SMILESCCOC(=O)CCC(=O)CN1CCCC(N)C1
InChIInChI=1S/C12H22N2O3/c1-2-17-12(16)6-5-11(15)9-14-7-3-4-10(13)8-14/h10H,2-9,13H2,1H3
InChIKeyJMFFNWPPAIBLAT-UHFFFAOYSA-N
XLogP0.32
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-[3-(methylcarbamoyl)piperidin-1-yl]-4-oxopentanoate
CID 103484634
ethyl 5-[3-(hydroxymethyl)pyrrolidin-1-yl]-4-oxopentanoate
CID 103484577
ethyl 5-(3-hydroxy-4-methylpiperidin-1-yl)-4-oxopentanoate
CID 103484627
ethyl 4-[3-(hydroxymethyl)piperidin-1-yl]-3-oxobutanoate
CID 63898307
ethyl 5-[4-(methoxymethyl)piperidin-1-yl]-4-oxopentanoate
CID 103484490
ethyl 5-(4-cyclopropylpiperazin-1-yl)-4-oxopentanoate
CID 103484200
ethyl 3-[(3R)-1-methylpiperidin-3-yl]propanoate
CID 59958651
ethyl 2-[3-(2-hydroxyethyl)piperidin-1-yl]acetate
CID 62356988
ethyl 5-(2-carbamoylpyrrolidin-1-yl)-4-oxopentanoate
CID 103484289
2-(3-aminopiperidin-1-yl)-1-(azepan-1-yl)ethanone
CID 61296313
ethyl 4-[(3S)-3-hydroxypiperidin-1-yl]-4-oxobutanoate
CID 107214957
1-(2-ethoxy-2-oxoethyl)piperidine-3-carboxylic acid
CID 170458411

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(3-aminopiperidin-1-yl)-4-oxopentanoate?
The IUPAC name of ethyl 5-(3-aminopiperidin-1-yl)-4-oxopentanoate (CID 103484354) is ethyl 5-(3-aminopiperidin-1-yl)-4-oxopentanoate.
What is the SMILES notation for ethyl 5-(3-aminopiperidin-1-yl)-4-oxopentanoate?
The canonical SMILES for ethyl 5-(3-aminopiperidin-1-yl)-4-oxopentanoate is CCOC(=O)CCC(=O)CN1CCCC(N)C1.
What is the InChIKey of ethyl 5-(3-aminopiperidin-1-yl)-4-oxopentanoate?
The InChIKey is JMFFNWPPAIBLAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-2-17-12(16)6-5-11(15)9-14-7-3-4-10(13)8-14/h10H,2-9,13H2,1H3.
What are the key properties of ethyl 5-(3-aminopiperidin-1-yl)-4-oxopentanoate?
ethyl 5-(3-aminopiperidin-1-yl)-4-oxopentanoate has a molecular weight of 242.32 g/mol, XLogP of 0.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(3-aminopiperidin-1-yl)-4-oxopentanoate is sourced from PubChem (CID 103484354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).