methyl 2-acetamido-3-(2-propylpiperidin-1-yl)propanoate

C14H26N2O3 — CID 83055490

IUPACmethyl 2-acetamido-3-(2-propylpiperidin-1-yl)propanoate
SMILESCCCC1CCCCN1CC(NC(C)=O)C(=O)OC
InChIInChI=1S/C14H26N2O3/c1-4-7-12-8-5-6-9-16(12)10-13(14(18)19-3)15-11(2)17/h12-13H,4-10H2,1-3H3,(H,15,17)
InChIKeyYEOBTXFTIHRCLC-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.32
Rot. Bonds6

About methyl 2-acetamido-3-(2-propylpiperidin-1-yl)propanoate

methyl 2-acetamido-3-(2-propylpiperidin-1-yl)propanoate (PubChem CID 83055490) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is methyl 2-acetamido-3-(2-propylpiperidin-1-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-acetamido-3-(2-propylpiperidin-1-yl)propanoate
PubChem CID83055490
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Namemethyl 2-acetamido-3-(2-propylpiperidin-1-yl)propanoate
SMILESCCCC1CCCCN1CC(NC(C)=O)C(=O)OC
InChIInChI=1S/C14H26N2O3/c1-4-7-12-8-5-6-9-16(12)10-13(14(18)19-3)15-11(2)17/h12-13H,4-10H2,1-3H3,(H,15,17)
InChIKeyYEOBTXFTIHRCLC-UHFFFAOYSA-N
XLogP1.32
TPSA58.64 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 ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-acetamido-3-[2-(hydroxymethyl)pyrrolidin-1-yl]propanoate
CID 65474978
ethyl 2-(propan-2-ylamino)-3-(2-propylpiperidin-1-yl)propanoate
CID 83061902
methyl 1-(2-acetamido-3-methoxy-3-oxopropyl)piperidine-3-carboxylate
CID 11087384
2-acetamido-3-(2-ethylpyrrolidin-1-yl)propanoic acid
CID 64581919
2-acetamido-3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propanoic acid
CID 64582737
methyl 2-bromo-3-(2-ethylpiperidin-1-yl)propanoate
CID 81100236
1-methoxy-3-(2-propylpiperidin-1-yl)propan-2-amine
CID 83055953
2-methoxy-3-(2-propylpiperidin-1-yl)propan-1-amine
CID 106114983
methyl (Z)-2-ethyl-4-(2-propylpiperidin-1-yl)but-2-enoate
CID 83056283
3-methyl-4-(2-propylpiperidin-1-yl)butan-1-amine
CID 83055638
1-methoxy-N-methyl-3-(2-propylpiperidin-1-yl)propan-2-amine
CID 107505926
3-methyl-1-(2-propylpiperidin-1-yl)pentan-2-one
CID 83055895

Frequently Asked Questions

What is the IUPAC name of methyl 2-acetamido-3-(2-propylpiperidin-1-yl)propanoate?
The IUPAC name of methyl 2-acetamido-3-(2-propylpiperidin-1-yl)propanoate (CID 83055490) is methyl 2-acetamido-3-(2-propylpiperidin-1-yl)propanoate.
What is the SMILES notation for methyl 2-acetamido-3-(2-propylpiperidin-1-yl)propanoate?
The canonical SMILES for methyl 2-acetamido-3-(2-propylpiperidin-1-yl)propanoate is CCCC1CCCCN1CC(NC(C)=O)C(=O)OC.
What is the InChIKey of methyl 2-acetamido-3-(2-propylpiperidin-1-yl)propanoate?
The InChIKey is YEOBTXFTIHRCLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-4-7-12-8-5-6-9-16(12)10-13(14(18)19-3)15-11(2)17/h12-13H,4-10H2,1-3H3,(H,15,17).
What are the key properties of methyl 2-acetamido-3-(2-propylpiperidin-1-yl)propanoate?
methyl 2-acetamido-3-(2-propylpiperidin-1-yl)propanoate has a molecular weight of 270.37 g/mol, XLogP of 1.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-acetamido-3-(2-propylpiperidin-1-yl)propanoate is sourced from PubChem (CID 83055490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).