ethyl (2S)-4-methyl-2-[[2-(1-methylpiperidin-4-yl)acetyl]amino]pentanoate

C16H30N2O3 — CID 58281340

IUPACethyl (2S)-4-methyl-2-[[2-(1-methylpiperidin-4-yl)acetyl]amino]pentanoate
SMILESCCOC(=O)[C@H](CC(C)C)NC(=O)CC1CCN(C)CC1
InChIInChI=1S/C16H30N2O3/c1-5-21-16(20)14(10-12(2)3)17-15(19)11-13-6-8-18(4)9-7-13/h12-14H,5-11H2,1-4H3,(H,17,19)/t14-/m0/s1
InChIKeyFPJLXSNBTSRBDT-AWEZNQCLSA-N
MW298.43 g/mol
LogP1.81
Rot. Bonds7

About ethyl (2S)-4-methyl-2-[[2-(1-methylpiperidin-4-yl)acetyl]amino]pentanoate

ethyl (2S)-4-methyl-2-[[2-(1-methylpiperidin-4-yl)acetyl]amino]pentanoate (PubChem CID 58281340) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is ethyl (2S)-4-methyl-2-[[2-(1-methylpiperidin-4-yl)acetyl]amino]pentanoate.

Molecular Properties

Compound Nameethyl (2S)-4-methyl-2-[[2-(1-methylpiperidin-4-yl)acetyl]amino]pentanoate
PubChem CID58281340
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Nameethyl (2S)-4-methyl-2-[[2-(1-methylpiperidin-4-yl)acetyl]amino]pentanoate
SMILESCCOC(=O)[C@H](CC(C)C)NC(=O)CC1CCN(C)CC1
InChIInChI=1S/C16H30N2O3/c1-5-21-16(20)14(10-12(2)3)17-15(19)11-13-6-8-18(4)9-7-13/h12-14H,5-11H2,1-4H3,(H,17,19)/t14-/m0/s1
InChIKeyFPJLXSNBTSRBDT-AWEZNQCLSA-N
XLogP1.81
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-4-methyl-2-[[2-(1-methylpiperidin-4-yl)acetyl]amino]pentanoate?
The IUPAC name of ethyl (2S)-4-methyl-2-[[2-(1-methylpiperidin-4-yl)acetyl]amino]pentanoate (CID 58281340) is ethyl (2S)-4-methyl-2-[[2-(1-methylpiperidin-4-yl)acetyl]amino]pentanoate.
What is the SMILES notation for ethyl (2S)-4-methyl-2-[[2-(1-methylpiperidin-4-yl)acetyl]amino]pentanoate?
The canonical SMILES for ethyl (2S)-4-methyl-2-[[2-(1-methylpiperidin-4-yl)acetyl]amino]pentanoate is CCOC(=O)[C@H](CC(C)C)NC(=O)CC1CCN(C)CC1.
What is the InChIKey of ethyl (2S)-4-methyl-2-[[2-(1-methylpiperidin-4-yl)acetyl]amino]pentanoate?
The InChIKey is FPJLXSNBTSRBDT-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-5-21-16(20)14(10-12(2)3)17-15(19)11-13-6-8-18(4)9-7-13/h12-14H,5-11H2,1-4H3,(H,17,19)/t14-/m0/s1.
What are the key properties of ethyl (2S)-4-methyl-2-[[2-(1-methylpiperidin-4-yl)acetyl]amino]pentanoate?
ethyl (2S)-4-methyl-2-[[2-(1-methylpiperidin-4-yl)acetyl]amino]pentanoate has a molecular weight of 298.43 g/mol, XLogP of 1.81, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-4-methyl-2-[[2-(1-methylpiperidin-4-yl)acetyl]amino]pentanoate is sourced from PubChem (CID 58281340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).