2-[1-(2,3,5-trimethylpiperidine-1-carbonyl)piperidin-4-yl]acetic acid

C16H28N2O3 — CID 114594420

IUPAC2-[1-(2,3,5-trimethylpiperidine-1-carbonyl)piperidin-4-yl]acetic acid
SMILESCC1CC(C)C(C)N(C(=O)N2CCC(CC(=O)O)CC2)C1
InChIInChI=1S/C16H28N2O3/c1-11-8-12(2)13(3)18(10-11)16(21)17-6-4-14(5-7-17)9-15(19)20/h11-14H,4-10H2,1-3H3,(H,19,20)
InChIKeyODKYWZISABZOHY-UHFFFAOYSA-N
MW296.41 g/mol
LogP2.66
Rot. Bonds2

About 2-[1-(2,3,5-trimethylpiperidine-1-carbonyl)piperidin-4-yl]acetic acid

2-[1-(2,3,5-trimethylpiperidine-1-carbonyl)piperidin-4-yl]acetic acid (PubChem CID 114594420) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 2-[1-(2,3,5-trimethylpiperidine-1-carbonyl)piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2,3,5-trimethylpiperidine-1-carbonyl)piperidin-4-yl]acetic acid
PubChem CID114594420
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name2-[1-(2,3,5-trimethylpiperidine-1-carbonyl)piperidin-4-yl]acetic acid
SMILESCC1CC(C)C(C)N(C(=O)N2CCC(CC(=O)O)CC2)C1
InChIInChI=1S/C16H28N2O3/c1-11-8-12(2)13(3)18(10-11)16(21)17-6-4-14(5-7-17)9-15(19)20/h11-14H,4-10H2,1-3H3,(H,19,20)
InChIKeyODKYWZISABZOHY-UHFFFAOYSA-N
XLogP2.66
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(3,5-dimethylpiperidine-1-carbonyl)azetidin-3-yl]acetic acid
CID 64616809
2-[1-(3,4-dimethylpyrrolidine-1-carbonyl)pyrrolidin-3-yl]acetic acid
CID 79181595
2-[1-[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]piperidin-4-yl]acetic acid
CID 81464306
2-[1-(2,4-dimethylcyclohexyl)piperidin-4-yl]acetic acid
CID 79605630
2-[1-(azocane-1-carbonyl)piperidin-4-yl]acetic acid
CID 79608844
(2S)-1-(2,3,5-trimethylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 104939753
2-[1-(4,4-dimethylpiperidine-1-carbonyl)piperidin-4-yl]acetic acid
CID 79605697
2-[1-(4-ethylpiperidine-1-carbonyl)azetidin-3-yl]acetic acid
CID 64617041
3-[1-(2,3-dimethylpiperidine-1-carbonyl)piperidin-4-yl]propanoic acid
CID 62211352
2-oxo-2-(2,3,5-trimethylpiperidin-1-yl)acetic acid
CID 114594573
2-[1-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)piperidin-4-yl]acetic acid
CID 79605864
2-[1-(2-propylpiperidine-1-carbonyl)piperidin-4-yl]acetic acid
CID 83045912

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,3,5-trimethylpiperidine-1-carbonyl)piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-(2,3,5-trimethylpiperidine-1-carbonyl)piperidin-4-yl]acetic acid (CID 114594420) is 2-[1-(2,3,5-trimethylpiperidine-1-carbonyl)piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-(2,3,5-trimethylpiperidine-1-carbonyl)piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-(2,3,5-trimethylpiperidine-1-carbonyl)piperidin-4-yl]acetic acid is CC1CC(C)C(C)N(C(=O)N2CCC(CC(=O)O)CC2)C1.
What is the InChIKey of 2-[1-(2,3,5-trimethylpiperidine-1-carbonyl)piperidin-4-yl]acetic acid?
The InChIKey is ODKYWZISABZOHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-11-8-12(2)13(3)18(10-11)16(21)17-6-4-14(5-7-17)9-15(19)20/h11-14H,4-10H2,1-3H3,(H,19,20).
What are the key properties of 2-[1-(2,3,5-trimethylpiperidine-1-carbonyl)piperidin-4-yl]acetic acid?
2-[1-(2,3,5-trimethylpiperidine-1-carbonyl)piperidin-4-yl]acetic acid has a molecular weight of 296.41 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,3,5-trimethylpiperidine-1-carbonyl)piperidin-4-yl]acetic acid is sourced from PubChem (CID 114594420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).