3-[1-(2-methylpiperidine-4-carbonyl)piperidin-2-yl]propanoic acid

C15H26N2O3 — CID 106739919

IUPAC3-[1-(2-methylpiperidine-4-carbonyl)piperidin-2-yl]propanoic acid
SMILESCC1CC(C(=O)N2CCCCC2CCC(=O)O)CCN1
InChIInChI=1S/C15H26N2O3/c1-11-10-12(7-8-16-11)15(20)17-9-3-2-4-13(17)5-6-14(18)19/h11-13,16H,2-10H2,1H3,(H,18,19)
InChIKeyKOCCNNFAPQJKAP-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.62
Rot. Bonds4

About 3-[1-(2-methylpiperidine-4-carbonyl)piperidin-2-yl]propanoic acid

3-[1-(2-methylpiperidine-4-carbonyl)piperidin-2-yl]propanoic acid (PubChem CID 106739919) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 3-[1-(2-methylpiperidine-4-carbonyl)piperidin-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(2-methylpiperidine-4-carbonyl)piperidin-2-yl]propanoic acid
PubChem CID106739919
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name3-[1-(2-methylpiperidine-4-carbonyl)piperidin-2-yl]propanoic acid
SMILESCC1CC(C(=O)N2CCCCC2CCC(=O)O)CCN1
InChIInChI=1S/C15H26N2O3/c1-11-10-12(7-8-16-11)15(20)17-9-3-2-4-13(17)5-6-14(18)19/h11-13,16H,2-10H2,1H3,(H,18,19)
InChIKeyKOCCNNFAPQJKAP-UHFFFAOYSA-N
XLogP1.62
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(hydroxymethyl)piperidin-1-yl]-(2-methylpiperidin-4-yl)methanone
CID 106738823
[2-(3-methylbutyl)piperidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone
CID 120639137
(2-benzylpyrrolidin-1-yl)-[(2S,4S)-2-methylpiperidin-4-yl]methanone
CID 120619708
3-[1-[(2R)-pyrrolidine-2-carbonyl]piperidin-2-yl]propanoic acid
CID 103868803
[(2S,4S)-2-methylpiperidin-4-yl]-[2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 120637820
3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[(2S,4S)-2-methylpiperidin-4-yl]methanone
CID 120617962
[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone
CID 120624041
3-[1-(bicyclo[2.2.1]heptane-2-carbonyl)piperidin-2-yl]propanoic acid
CID 62215608
3-[(2S)-1-[(3S)-1-methylsulfonylpiperidine-3-carbonyl]piperidin-2-yl]propanoic acid
CID 125149445
3-[1-(2-methylsulfanylacetyl)piperidin-2-yl]propanoic acid
CID 62217465
3-[1-(oxolane-2-carbonyl)piperidin-2-yl]propanoic acid
CID 62217275
[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone;hydrochloride
CID 120638392

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-methylpiperidine-4-carbonyl)piperidin-2-yl]propanoic acid?
The IUPAC name of 3-[1-(2-methylpiperidine-4-carbonyl)piperidin-2-yl]propanoic acid (CID 106739919) is 3-[1-(2-methylpiperidine-4-carbonyl)piperidin-2-yl]propanoic acid.
What is the SMILES notation for 3-[1-(2-methylpiperidine-4-carbonyl)piperidin-2-yl]propanoic acid?
The canonical SMILES for 3-[1-(2-methylpiperidine-4-carbonyl)piperidin-2-yl]propanoic acid is CC1CC(C(=O)N2CCCCC2CCC(=O)O)CCN1.
What is the InChIKey of 3-[1-(2-methylpiperidine-4-carbonyl)piperidin-2-yl]propanoic acid?
The InChIKey is KOCCNNFAPQJKAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-11-10-12(7-8-16-11)15(20)17-9-3-2-4-13(17)5-6-14(18)19/h11-13,16H,2-10H2,1H3,(H,18,19).
What are the key properties of 3-[1-(2-methylpiperidine-4-carbonyl)piperidin-2-yl]propanoic acid?
3-[1-(2-methylpiperidine-4-carbonyl)piperidin-2-yl]propanoic acid has a molecular weight of 282.38 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-methylpiperidine-4-carbonyl)piperidin-2-yl]propanoic acid is sourced from PubChem (CID 106739919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).