3-[1-(2-methoxypropylcarbamoyl)piperidin-3-yl]butanoic acid

C14H26N2O4 — CID 102699639

IUPAC3-[1-(2-methoxypropylcarbamoyl)piperidin-3-yl]butanoic acid
SMILESCOC(C)CNC(=O)N1CCCC(C(C)CC(=O)O)C1
InChIInChI=1S/C14H26N2O4/c1-10(7-13(17)18)12-5-4-6-16(9-12)14(19)15-8-11(2)20-3/h10-12H,4-9H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyABEJTVUGZVKOFN-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.55
Rot. Bonds6

About 3-[1-(2-methoxypropylcarbamoyl)piperidin-3-yl]butanoic acid

3-[1-(2-methoxypropylcarbamoyl)piperidin-3-yl]butanoic acid (PubChem CID 102699639) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is 3-[1-(2-methoxypropylcarbamoyl)piperidin-3-yl]butanoic acid.

Molecular Properties

Compound Name3-[1-(2-methoxypropylcarbamoyl)piperidin-3-yl]butanoic acid
PubChem CID102699639
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name3-[1-(2-methoxypropylcarbamoyl)piperidin-3-yl]butanoic acid
SMILESCOC(C)CNC(=O)N1CCCC(C(C)CC(=O)O)C1
InChIInChI=1S/C14H26N2O4/c1-10(7-13(17)18)12-5-4-6-16(9-12)14(19)15-8-11(2)20-3/h10-12H,4-9H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyABEJTVUGZVKOFN-UHFFFAOYSA-N
XLogP1.55
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(2-methylpropylcarbamoyl)piperidin-3-yl]butanoic acid
CID 81046948
3-[1-[(2-methyl-3-methylsulfanylpropyl)carbamoyl]piperidin-3-yl]butanoic acid
CID 81049909
3-[1-(2,2-dimethylpropylcarbamoyl)piperidin-3-yl]butanoic acid
CID 81046077
3-[1-(3-ethoxypropylcarbamoyl)piperidin-3-yl]butanoic acid
CID 81048987
3-[1-[2-[ethyl(methyl)amino]ethylcarbamoyl]piperidin-3-yl]butanoic acid
CID 81048995
3-[1-(2-methylpentan-3-ylcarbamoyl)piperidin-3-yl]butanoic acid
CID 81047521
3-methoxy-4-[(4-propan-2-ylazepane-1-carbonyl)amino]butanoic acid
CID 103159491
3-[1-[2-(methylamino)acetyl]piperidin-3-yl]butanoic acid
CID 81046132
1-(2-methoxypropylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 102699573
3-[1-(2,2-difluoroacetyl)piperidin-3-yl]butanoic acid
CID 103513401
3-[1-(1,3-thiazol-2-ylmethylcarbamoyl)piperidin-3-yl]butanoic acid
CID 81047677
3-[1-(cyclopentanecarbonyl)piperidin-3-yl]butanoic acid
CID 81046487

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-methoxypropylcarbamoyl)piperidin-3-yl]butanoic acid?
The IUPAC name of 3-[1-(2-methoxypropylcarbamoyl)piperidin-3-yl]butanoic acid (CID 102699639) is 3-[1-(2-methoxypropylcarbamoyl)piperidin-3-yl]butanoic acid.
What is the SMILES notation for 3-[1-(2-methoxypropylcarbamoyl)piperidin-3-yl]butanoic acid?
The canonical SMILES for 3-[1-(2-methoxypropylcarbamoyl)piperidin-3-yl]butanoic acid is COC(C)CNC(=O)N1CCCC(C(C)CC(=O)O)C1.
What is the InChIKey of 3-[1-(2-methoxypropylcarbamoyl)piperidin-3-yl]butanoic acid?
The InChIKey is ABEJTVUGZVKOFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-10(7-13(17)18)12-5-4-6-16(9-12)14(19)15-8-11(2)20-3/h10-12H,4-9H2,1-3H3,(H,15,19)(H,17,18).
What are the key properties of 3-[1-(2-methoxypropylcarbamoyl)piperidin-3-yl]butanoic acid?
3-[1-(2-methoxypropylcarbamoyl)piperidin-3-yl]butanoic acid has a molecular weight of 286.37 g/mol, XLogP of 1.55, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-methoxypropylcarbamoyl)piperidin-3-yl]butanoic acid is sourced from PubChem (CID 102699639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).