3-[1-[1-methoxypropan-2-yl(methyl)carbamoyl]piperidin-4-yl]propanoic acid

C14H26N2O4 — CID 62210113

IUPAC3-[1-[1-methoxypropan-2-yl(methyl)carbamoyl]piperidin-4-yl]propanoic acid
SMILESCOCC(C)N(C)C(=O)N1CCC(CCC(=O)O)CC1
InChIInChI=1S/C14H26N2O4/c1-11(10-20-3)15(2)14(19)16-8-6-12(7-9-16)4-5-13(17)18/h11-12H,4-10H2,1-3H3,(H,17,18)
InChIKeyXMBSEURXNIXICH-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.65
Rot. Bonds6

About 3-[1-[1-methoxypropan-2-yl(methyl)carbamoyl]piperidin-4-yl]propanoic acid

3-[1-[1-methoxypropan-2-yl(methyl)carbamoyl]piperidin-4-yl]propanoic acid (PubChem CID 62210113) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is 3-[1-[1-methoxypropan-2-yl(methyl)carbamoyl]piperidin-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-[1-methoxypropan-2-yl(methyl)carbamoyl]piperidin-4-yl]propanoic acid
PubChem CID62210113
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name3-[1-[1-methoxypropan-2-yl(methyl)carbamoyl]piperidin-4-yl]propanoic acid
SMILESCOCC(C)N(C)C(=O)N1CCC(CCC(=O)O)CC1
InChIInChI=1S/C14H26N2O4/c1-11(10-20-3)15(2)14(19)16-8-6-12(7-9-16)4-5-13(17)18/h11-12H,4-10H2,1-3H3,(H,17,18)
InChIKeyXMBSEURXNIXICH-UHFFFAOYSA-N
XLogP1.65
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-methoxypropan-2-yl)-N,4-dimethylpiperidine-1-carboxamide
CID 116654677
3-[1-(1-methoxypropan-2-ylcarbamoyl)piperidin-4-yl]propanoic acid
CID 62216369
3-[1-[ethyl(propan-2-yl)carbamoyl]piperidin-4-yl]propanoic acid
CID 62217609
3-[1-(2-methoxypropanoyl)piperidin-4-yl]propanoic acid
CID 112568653
3-[1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]piperidin-4-yl]propanoic acid
CID 62215678
3-[1-[(2-amino-2-oxoethyl)-propan-2-ylcarbamoyl]piperidin-4-yl]propanoic acid
CID 62210644
2-[1-[methyl(propan-2-yl)carbamoyl]piperidin-4-yl]acetic acid
CID 79609047
3-[1-(1-ethoxypropan-2-ylcarbamoyl)piperidin-4-yl]propanoic acid
CID 62210649
3-[1-(dimethylaminocarbamoyl)piperidin-4-yl]propanoic acid
CID 83018960
3-[1-(3-methoxy-3-methylbutanoyl)piperidin-4-yl]propanoic acid
CID 103018528
3-[1-[methyl(thiolan-3-yl)carbamoyl]piperidin-4-yl]propanoic acid
CID 62215737
3-[1-(4-methoxypentanoyl)pyrrolidin-3-yl]propanoic acid
CID 113382138

Frequently Asked Questions

What is the IUPAC name of 3-[1-[1-methoxypropan-2-yl(methyl)carbamoyl]piperidin-4-yl]propanoic acid?
The IUPAC name of 3-[1-[1-methoxypropan-2-yl(methyl)carbamoyl]piperidin-4-yl]propanoic acid (CID 62210113) is 3-[1-[1-methoxypropan-2-yl(methyl)carbamoyl]piperidin-4-yl]propanoic acid.
What is the SMILES notation for 3-[1-[1-methoxypropan-2-yl(methyl)carbamoyl]piperidin-4-yl]propanoic acid?
The canonical SMILES for 3-[1-[1-methoxypropan-2-yl(methyl)carbamoyl]piperidin-4-yl]propanoic acid is COCC(C)N(C)C(=O)N1CCC(CCC(=O)O)CC1.
What is the InChIKey of 3-[1-[1-methoxypropan-2-yl(methyl)carbamoyl]piperidin-4-yl]propanoic acid?
The InChIKey is XMBSEURXNIXICH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-11(10-20-3)15(2)14(19)16-8-6-12(7-9-16)4-5-13(17)18/h11-12H,4-10H2,1-3H3,(H,17,18).
What are the key properties of 3-[1-[1-methoxypropan-2-yl(methyl)carbamoyl]piperidin-4-yl]propanoic acid?
3-[1-[1-methoxypropan-2-yl(methyl)carbamoyl]piperidin-4-yl]propanoic acid has a molecular weight of 286.37 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[1-methoxypropan-2-yl(methyl)carbamoyl]piperidin-4-yl]propanoic acid is sourced from PubChem (CID 62210113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).