ethyl 5-[3-(methylcarbamoyl)piperidin-1-yl]-4-oxopentanoate

C14H24N2O4 — CID 103484634

IUPACethyl 5-[3-(methylcarbamoyl)piperidin-1-yl]-4-oxopentanoate
SMILESCCOC(=O)CCC(=O)CN1CCCC(C(=O)NC)C1
InChIInChI=1S/C14H24N2O4/c1-3-20-13(18)7-6-12(17)10-16-8-4-5-11(9-16)14(19)15-2/h11H,3-10H2,1-2H3,(H,15,19)
InChIKeyJZMMPSDUEBZMAM-UHFFFAOYSA-N
MW284.36 g/mol
LogP0.36
Rot. Bonds7

About ethyl 5-[3-(methylcarbamoyl)piperidin-1-yl]-4-oxopentanoate

ethyl 5-[3-(methylcarbamoyl)piperidin-1-yl]-4-oxopentanoate (PubChem CID 103484634) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is ethyl 5-[3-(methylcarbamoyl)piperidin-1-yl]-4-oxopentanoate.

Molecular Properties

Compound Nameethyl 5-[3-(methylcarbamoyl)piperidin-1-yl]-4-oxopentanoate
PubChem CID103484634
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Nameethyl 5-[3-(methylcarbamoyl)piperidin-1-yl]-4-oxopentanoate
SMILESCCOC(=O)CCC(=O)CN1CCCC(C(=O)NC)C1
InChIInChI=1S/C14H24N2O4/c1-3-20-13(18)7-6-12(17)10-16-8-4-5-11(9-16)14(19)15-2/h11H,3-10H2,1-2H3,(H,15,19)
InChIKeyJZMMPSDUEBZMAM-UHFFFAOYSA-N
XLogP0.36
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-(3-aminopiperidin-1-yl)-4-oxopentanoate
CID 103484354
ethyl 5-[3-(hydroxymethyl)pyrrolidin-1-yl]-4-oxopentanoate
CID 103484577
methyl 1-(2-ethoxy-2-oxoethyl)piperidine-3-carboxylate
CID 53421319
1-(2-ethoxy-2-oxoethyl)piperidine-3-carboxylic acid
CID 170458411
ethyl 3-[4-(methylcarbamoyl)piperidin-1-yl]propanoate
CID 60705415
ethyl 5-(3-hydroxy-4-methylpiperidin-1-yl)-4-oxopentanoate
CID 103484627
2-[(3S)-3-ethoxycarbonylpiperidin-1-yl]acetic acid
CID 52903753
ethyl 6-[(3S)-3-(cyclopropylmethylcarbamoyl)piperidin-1-yl]hexanoate
CID 95346670
ethyl 4-[3-(hydroxymethyl)piperidin-1-yl]-3-oxobutanoate
CID 63898307
ethyl 5-[4-(methoxymethyl)piperidin-1-yl]-4-oxopentanoate
CID 103484490
ethyl (3R)-1-[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]piperidine-3-carboxylate
CID 8560503
1-(2-methoxyethyl)-N-methylpiperidine-3-carboxamide
CID 143767660

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[3-(methylcarbamoyl)piperidin-1-yl]-4-oxopentanoate?
The IUPAC name of ethyl 5-[3-(methylcarbamoyl)piperidin-1-yl]-4-oxopentanoate (CID 103484634) is ethyl 5-[3-(methylcarbamoyl)piperidin-1-yl]-4-oxopentanoate.
What is the SMILES notation for ethyl 5-[3-(methylcarbamoyl)piperidin-1-yl]-4-oxopentanoate?
The canonical SMILES for ethyl 5-[3-(methylcarbamoyl)piperidin-1-yl]-4-oxopentanoate is CCOC(=O)CCC(=O)CN1CCCC(C(=O)NC)C1.
What is the InChIKey of ethyl 5-[3-(methylcarbamoyl)piperidin-1-yl]-4-oxopentanoate?
The InChIKey is JZMMPSDUEBZMAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-3-20-13(18)7-6-12(17)10-16-8-4-5-11(9-16)14(19)15-2/h11H,3-10H2,1-2H3,(H,15,19).
What are the key properties of ethyl 5-[3-(methylcarbamoyl)piperidin-1-yl]-4-oxopentanoate?
ethyl 5-[3-(methylcarbamoyl)piperidin-1-yl]-4-oxopentanoate has a molecular weight of 284.36 g/mol, XLogP of 0.36, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[3-(methylcarbamoyl)piperidin-1-yl]-4-oxopentanoate is sourced from PubChem (CID 103484634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).