1-(3,3-dimethylpiperidine-1-carbonyl)-2-methylpiperidine-4-carboxylic acid

C15H26N2O3 — CID 106744342

IUPAC1-(3,3-dimethylpiperidine-1-carbonyl)-2-methylpiperidine-4-carboxylic acid
SMILESCC1CC(C(=O)O)CCN1C(=O)N1CCCC(C)(C)C1
InChIInChI=1S/C15H26N2O3/c1-11-9-12(13(18)19)5-8-17(11)14(20)16-7-4-6-15(2,3)10-16/h11-12H,4-10H2,1-3H3,(H,18,19)
InChIKeyQXEXORFBAPQXHU-UHFFFAOYSA-N
MW282.38 g/mol
LogP2.41
Rot. Bonds1

About 1-(3,3-dimethylpiperidine-1-carbonyl)-2-methylpiperidine-4-carboxylic acid

1-(3,3-dimethylpiperidine-1-carbonyl)-2-methylpiperidine-4-carboxylic acid (PubChem CID 106744342) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 1-(3,3-dimethylpiperidine-1-carbonyl)-2-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(3,3-dimethylpiperidine-1-carbonyl)-2-methylpiperidine-4-carboxylic acid
PubChem CID106744342
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name1-(3,3-dimethylpiperidine-1-carbonyl)-2-methylpiperidine-4-carboxylic acid
SMILESCC1CC(C(=O)O)CCN1C(=O)N1CCCC(C)(C)C1
InChIInChI=1S/C15H26N2O3/c1-11-9-12(13(18)19)5-8-17(11)14(20)16-7-4-6-15(2,3)10-16/h11-12H,4-10H2,1-3H3,(H,18,19)
InChIKeyQXEXORFBAPQXHU-UHFFFAOYSA-N
XLogP2.41
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,3-dimethylpiperidine-1-carbonyl)-2-methylpyrrolidine-3-carboxylic acid
CID 79382487
cis-(1R,3S)-3-[(3,3-dimethylpiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 106319764
3-[(3,3-dimethylpiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 66031454
1-(3,5-dioxopiperazine-1-carbonyl)-2-methylpiperidine-4-carboxylic acid
CID 106744401
1-(3-methoxypiperidine-1-carbonyl)-2-methylpiperidine-4-carboxylic acid
CID 106744619
1-[4-(hydroxymethyl)piperidine-1-carbonyl]-2-methylpiperidine-4-carboxylic acid
CID 106743942
3-[(4,4-dimethylazepane-1-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 66031857
1-(3-methoxypyrrolidine-1-carbonyl)-2-methylpiperidine-4-carboxylic acid
CID 106744628
1-(2-methoxycarbonylpyrrolidine-1-carbonyl)-2-methylpiperidine-4-carboxylic acid
CID 106743978
1-(2-carbamoylpyrrolidine-1-carbonyl)-2-methylpiperidine-4-carboxylic acid
CID 106743936
2-(4,4-dimethylazepane-1-carbonyl)cyclobutane-1-carboxylic acid
CID 120976964
1-(3-methoxy-3-methylpiperidine-1-carbonyl)-4-methylpiperidine-2-carboxylic acid
CID 107394008

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylpiperidine-1-carbonyl)-2-methylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(3,3-dimethylpiperidine-1-carbonyl)-2-methylpiperidine-4-carboxylic acid (CID 106744342) is 1-(3,3-dimethylpiperidine-1-carbonyl)-2-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(3,3-dimethylpiperidine-1-carbonyl)-2-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(3,3-dimethylpiperidine-1-carbonyl)-2-methylpiperidine-4-carboxylic acid is CC1CC(C(=O)O)CCN1C(=O)N1CCCC(C)(C)C1.
What is the InChIKey of 1-(3,3-dimethylpiperidine-1-carbonyl)-2-methylpiperidine-4-carboxylic acid?
The InChIKey is QXEXORFBAPQXHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-11-9-12(13(18)19)5-8-17(11)14(20)16-7-4-6-15(2,3)10-16/h11-12H,4-10H2,1-3H3,(H,18,19).
What are the key properties of 1-(3,3-dimethylpiperidine-1-carbonyl)-2-methylpiperidine-4-carboxylic acid?
1-(3,3-dimethylpiperidine-1-carbonyl)-2-methylpiperidine-4-carboxylic acid has a molecular weight of 282.38 g/mol, XLogP of 2.41, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylpiperidine-1-carbonyl)-2-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 106744342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).