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

C16H28N2O3 — CID 83199276

IUPAC2-methyl-2-[1-(3-methylpiperidine-3-carbonyl)piperidin-3-yl]propanoic acid
SMILESCC1(C(=O)N2CCCC(C(C)(C)C(=O)O)C2)CCCNC1
InChIInChI=1S/C16H28N2O3/c1-15(2,14(20)21)12-6-4-9-18(10-12)13(19)16(3)7-5-8-17-11-16/h12,17H,4-11H2,1-3H3,(H,20,21)
InChIKeyCZPDYLNCCVYQAD-UHFFFAOYSA-N
MW296.41 g/mol
LogP1.73
Rot. Bonds3

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

2-methyl-2-[1-(3-methylpiperidine-3-carbonyl)piperidin-3-yl]propanoic acid (PubChem CID 83199276) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 2-methyl-2-[1-(3-methylpiperidine-3-carbonyl)piperidin-3-yl]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[1-(3-methylpiperidine-3-carbonyl)piperidin-3-yl]propanoic acid
PubChem CID83199276
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name2-methyl-2-[1-(3-methylpiperidine-3-carbonyl)piperidin-3-yl]propanoic acid
SMILESCC1(C(=O)N2CCCC(C(C)(C)C(=O)O)C2)CCCNC1
InChIInChI=1S/C16H28N2O3/c1-15(2,14(20)21)12-6-4-9-18(10-12)13(19)16(3)7-5-8-17-11-16/h12,17H,4-11H2,1-3H3,(H,20,21)
InChIKeyCZPDYLNCCVYQAD-UHFFFAOYSA-N
XLogP1.73
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3-methylpiperidin-3-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 63131212
(3R)-1-(3-methylpyrrolidine-3-carbonyl)piperidine-3-carboxylic acid
CID 81120931
(3-hydroxypiperidin-1-yl)-(3-methylpyrrolidin-3-yl)methanone
CID 63138941
(3-methylpiperidin-3-yl)-(4-methylpiperidin-1-yl)methanone
CID 63132368
1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl-(3-methylpiperidin-3-yl)methanone
CID 119945501
2-methyl-2-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]propanoic acid
CID 83197573
2-[1-(azetidine-3-carbonyl)piperidin-3-yl]-2-methylpropanoic acid
CID 83197354
2-[1-(cyclopropanecarbonyl)piperidin-3-yl]-2-methylpropanoic acid
CID 83198260
[3-(methoxymethyl)pyrrolidin-1-yl]-(3-methylpiperidin-3-yl)methanone
CID 64598501
2-methyl-2-[1-(2-piperazin-1-ylacetyl)piperidin-3-yl]propanoic acid
CID 83199263
(4-cyclopropylpiperazin-1-yl)-(3-methylpiperidin-3-yl)methanone
CID 63131559
2-methyl-2-[1-(2-methylpyrrolidine-1-carbonyl)piperidin-3-yl]propanoic acid
CID 83197993

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[1-(3-methylpiperidine-3-carbonyl)piperidin-3-yl]propanoic acid?
The IUPAC name of 2-methyl-2-[1-(3-methylpiperidine-3-carbonyl)piperidin-3-yl]propanoic acid (CID 83199276) is 2-methyl-2-[1-(3-methylpiperidine-3-carbonyl)piperidin-3-yl]propanoic acid.
What is the SMILES notation for 2-methyl-2-[1-(3-methylpiperidine-3-carbonyl)piperidin-3-yl]propanoic acid?
The canonical SMILES for 2-methyl-2-[1-(3-methylpiperidine-3-carbonyl)piperidin-3-yl]propanoic acid is CC1(C(=O)N2CCCC(C(C)(C)C(=O)O)C2)CCCNC1.
What is the InChIKey of 2-methyl-2-[1-(3-methylpiperidine-3-carbonyl)piperidin-3-yl]propanoic acid?
The InChIKey is CZPDYLNCCVYQAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-15(2,14(20)21)12-6-4-9-18(10-12)13(19)16(3)7-5-8-17-11-16/h12,17H,4-11H2,1-3H3,(H,20,21).
What are the key properties of 2-methyl-2-[1-(3-methylpiperidine-3-carbonyl)piperidin-3-yl]propanoic acid?
2-methyl-2-[1-(3-methylpiperidine-3-carbonyl)piperidin-3-yl]propanoic acid has a molecular weight of 296.41 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[1-(3-methylpiperidine-3-carbonyl)piperidin-3-yl]propanoic acid is sourced from PubChem (CID 83199276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).