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

C16H28N2O3 — CID 62211352

IUPAC3-[1-(2,3-dimethylpiperidine-1-carbonyl)piperidin-4-yl]propanoic acid
SMILESCC1CCCN(C(=O)N2CCC(CCC(=O)O)CC2)C1C
InChIInChI=1S/C16H28N2O3/c1-12-4-3-9-18(13(12)2)16(21)17-10-7-14(8-11-17)5-6-15(19)20/h12-14H,3-11H2,1-2H3,(H,19,20)
InChIKeyMOMLIJULZOGBDC-UHFFFAOYSA-N
MW296.41 g/mol
LogP2.80
Rot. Bonds3

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

3-[1-(2,3-dimethylpiperidine-1-carbonyl)piperidin-4-yl]propanoic acid (PubChem CID 62211352) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 3-[1-(2,3-dimethylpiperidine-1-carbonyl)piperidin-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(2,3-dimethylpiperidine-1-carbonyl)piperidin-4-yl]propanoic acid
PubChem CID62211352
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name3-[1-(2,3-dimethylpiperidine-1-carbonyl)piperidin-4-yl]propanoic acid
SMILESCC1CCCN(C(=O)N2CCC(CCC(=O)O)CC2)C1C
InChIInChI=1S/C16H28N2O3/c1-12-4-3-9-18(13(12)2)16(21)17-10-7-14(8-11-17)5-6-15(19)20/h12-14H,3-11H2,1-2H3,(H,19,20)
InChIKeyMOMLIJULZOGBDC-UHFFFAOYSA-N
XLogP2.80
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,3-dimethylpiperidin-1-yl)-pyrrolidin-1-ylmethanone
CID 115665198
3-[1-(2,4-dimethylpiperidine-1-carbonyl)piperidin-4-yl]propanoic acid
CID 62332210
3-[1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)piperidin-4-yl]propanoic acid
CID 115560814
3-[1-(thiomorpholine-4-carbonyl)piperidin-4-yl]propanoic acid
CID 55049567
2-[4-(2,3-dimethylpiperidine-1-carbonyl)morpholin-2-yl]acetic acid
CID 66434882
(2R)-1-(2,3-dimethylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 78922537
3-[1-(4-hydroxy-3-methylpiperidine-1-carbonyl)pyrrolidin-3-yl]propanoic acid
CID 114679445
(2S)-1-(4-propylazepane-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 78992815
2-[1-(2,3,5-trimethylpiperidine-1-carbonyl)piperidin-4-yl]acetic acid
CID 114594420
3-[1-(2-cyclohexylacetyl)piperidin-4-yl]propanoic acid
CID 62217126
2-[carboxymethyl-(2,3-dimethylpiperidine-1-carbonyl)amino]acetic acid
CID 55246330
1-(2,3-dimethylpiperidin-1-yl)propan-1-one
CID 64591825

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,3-dimethylpiperidine-1-carbonyl)piperidin-4-yl]propanoic acid?
The IUPAC name of 3-[1-(2,3-dimethylpiperidine-1-carbonyl)piperidin-4-yl]propanoic acid (CID 62211352) is 3-[1-(2,3-dimethylpiperidine-1-carbonyl)piperidin-4-yl]propanoic acid.
What is the SMILES notation for 3-[1-(2,3-dimethylpiperidine-1-carbonyl)piperidin-4-yl]propanoic acid?
The canonical SMILES for 3-[1-(2,3-dimethylpiperidine-1-carbonyl)piperidin-4-yl]propanoic acid is CC1CCCN(C(=O)N2CCC(CCC(=O)O)CC2)C1C.
What is the InChIKey of 3-[1-(2,3-dimethylpiperidine-1-carbonyl)piperidin-4-yl]propanoic acid?
The InChIKey is MOMLIJULZOGBDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-12-4-3-9-18(13(12)2)16(21)17-10-7-14(8-11-17)5-6-15(19)20/h12-14H,3-11H2,1-2H3,(H,19,20).
What are the key properties of 3-[1-(2,3-dimethylpiperidine-1-carbonyl)piperidin-4-yl]propanoic acid?
3-[1-(2,3-dimethylpiperidine-1-carbonyl)piperidin-4-yl]propanoic acid has a molecular weight of 296.41 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,3-dimethylpiperidine-1-carbonyl)piperidin-4-yl]propanoic acid is sourced from PubChem (CID 62211352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).