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

C15H26N2O3 — CID 79605697

IUPAC2-[1-(4,4-dimethylpiperidine-1-carbonyl)piperidin-4-yl]acetic acid
SMILESCC1(C)CCN(C(=O)N2CCC(CC(=O)O)CC2)CC1
InChIInChI=1S/C15H26N2O3/c1-15(2)5-9-17(10-6-15)14(20)16-7-3-12(4-8-16)11-13(18)19/h12H,3-11H2,1-2H3,(H,18,19)
InChIKeyRUSCXWAGRJRLDZ-UHFFFAOYSA-N
MW282.38 g/mol
LogP2.42
Rot. Bonds2

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

2-[1-(4,4-dimethylpiperidine-1-carbonyl)piperidin-4-yl]acetic acid (PubChem CID 79605697) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 2-[1-(4,4-dimethylpiperidine-1-carbonyl)piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(4,4-dimethylpiperidine-1-carbonyl)piperidin-4-yl]acetic acid
PubChem CID79605697
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name2-[1-(4,4-dimethylpiperidine-1-carbonyl)piperidin-4-yl]acetic acid
SMILESCC1(C)CCN(C(=O)N2CCC(CC(=O)O)CC2)CC1
InChIInChI=1S/C15H26N2O3/c1-15(2)5-9-17(10-6-15)14(20)16-7-3-12(4-8-16)11-13(18)19/h12H,3-11H2,1-2H3,(H,18,19)
InChIKeyRUSCXWAGRJRLDZ-UHFFFAOYSA-N
XLogP2.42
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(azocane-1-carbonyl)piperidin-4-yl]acetic acid
CID 79608844
2-[1-(4-ethylpiperidine-1-carbonyl)azetidin-3-yl]acetic acid
CID 64617041
1-[4-(2-amino-2-oxoethyl)piperidine-1-carbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63146890
2-[1-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)piperidin-4-yl]acetic acid
CID 79605864
2-[1-(4-methylpiperidine-4-carbonyl)piperidin-4-yl]acetic acid
CID 79608498
1-(4,4-dimethylpiperidine-1-carbonyl)pyrrolidine-3-carboxylic acid
CID 63032464
2-[1-(1-ethylcyclobutanecarbonyl)piperidin-4-yl]acetic acid
CID 119178068
2-[1-(2,2-dimethylcyclohexanecarbonyl)piperidin-4-yl]acetic acid
CID 107175719
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-(3-methoxypiperidine-1-carbonyl)piperidin-4-yl]acetic acid
CID 102963039
2-[1-(4,4-dimethylcycloheptyl)piperidin-4-yl]acetic acid
CID 79605937

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4,4-dimethylpiperidine-1-carbonyl)piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-(4,4-dimethylpiperidine-1-carbonyl)piperidin-4-yl]acetic acid (CID 79605697) is 2-[1-(4,4-dimethylpiperidine-1-carbonyl)piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-(4,4-dimethylpiperidine-1-carbonyl)piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-(4,4-dimethylpiperidine-1-carbonyl)piperidin-4-yl]acetic acid is CC1(C)CCN(C(=O)N2CCC(CC(=O)O)CC2)CC1.
What is the InChIKey of 2-[1-(4,4-dimethylpiperidine-1-carbonyl)piperidin-4-yl]acetic acid?
The InChIKey is RUSCXWAGRJRLDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-15(2)5-9-17(10-6-15)14(20)16-7-3-12(4-8-16)11-13(18)19/h12H,3-11H2,1-2H3,(H,18,19).
What are the key properties of 2-[1-(4,4-dimethylpiperidine-1-carbonyl)piperidin-4-yl]acetic acid?
2-[1-(4,4-dimethylpiperidine-1-carbonyl)piperidin-4-yl]acetic acid has a molecular weight of 282.38 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4,4-dimethylpiperidine-1-carbonyl)piperidin-4-yl]acetic acid is sourced from PubChem (CID 79605697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).