1-(3-methoxy-3-methylpiperidine-1-carbonyl)-4-methylpiperidine-2-carboxylic acid

C15H26N2O4 — CID 107394008

IUPAC1-(3-methoxy-3-methylpiperidine-1-carbonyl)-4-methylpiperidine-2-carboxylic acid
SMILESCOC1(C)CCCN(C(=O)N2CCC(C)CC2C(=O)O)C1
InChIInChI=1S/C15H26N2O4/c1-11-5-8-17(12(9-11)13(18)19)14(20)16-7-4-6-15(2,10-16)21-3/h11-12H,4-10H2,1-3H3,(H,18,19)
InChIKeyIJSSRUJQGRASRD-UHFFFAOYSA-N
MW298.38 g/mol
LogP1.79
Rot. Bonds2

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

1-(3-methoxy-3-methylpiperidine-1-carbonyl)-4-methylpiperidine-2-carboxylic acid (PubChem CID 107394008) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 1-(3-methoxy-3-methylpiperidine-1-carbonyl)-4-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(3-methoxy-3-methylpiperidine-1-carbonyl)-4-methylpiperidine-2-carboxylic acid
PubChem CID107394008
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name1-(3-methoxy-3-methylpiperidine-1-carbonyl)-4-methylpiperidine-2-carboxylic acid
SMILESCOC1(C)CCCN(C(=O)N2CCC(C)CC2C(=O)O)C1
InChIInChI=1S/C15H26N2O4/c1-11-5-8-17(12(9-11)13(18)19)14(20)16-7-4-6-15(2,10-16)21-3/h11-12H,4-10H2,1-3H3,(H,18,19)
InChIKeyIJSSRUJQGRASRD-UHFFFAOYSA-N
XLogP1.79
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-1-(4-methylazepane-1-carbonyl)piperidine-2-carboxylic acid
CID 114425581
1-(3-methoxy-3-methylpiperidine-1-carbonyl)-5-oxopiperazine-2-carboxylic acid
CID 107439498
1-(4-methoxypiperidine-1-carbonyl)-4-methylpiperidine-2-carboxylic acid
CID 114425244
1-(4-hydroxypiperidine-1-carbonyl)-4-methylpiperidine-2-carboxylic acid
CID 114425171
3-[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 107393973
1-(3-hydroxypyrrolidine-1-carbonyl)-4-methylpiperidine-2-carboxylic acid
CID 114425542
4-ethyl-1-(3-hydroxy-3-methylpiperidine-1-carbonyl)piperidine-2-carboxylic acid
CID 114430577
4-methyl-1-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)piperidine-2-carboxylic acid
CID 114425695
1-(3,3-dimethylpiperidine-1-carbonyl)-2-methylpiperidine-4-carboxylic acid
CID 106744342
2-[4-(3-methoxy-3-methylpiperidine-1-carbonyl)morpholin-3-yl]acetic acid
CID 107394034
1-(3,3-dimethylpiperidine-1-carbonyl)-2-methylpyrrolidine-3-carboxylic acid
CID 79382487
4-methyl-1-(2-methylazepane-1-carbonyl)piperidine-2-carboxylic acid
CID 114425614

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-3-methylpiperidine-1-carbonyl)-4-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-(3-methoxy-3-methylpiperidine-1-carbonyl)-4-methylpiperidine-2-carboxylic acid (CID 107394008) is 1-(3-methoxy-3-methylpiperidine-1-carbonyl)-4-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-(3-methoxy-3-methylpiperidine-1-carbonyl)-4-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-(3-methoxy-3-methylpiperidine-1-carbonyl)-4-methylpiperidine-2-carboxylic acid is COC1(C)CCCN(C(=O)N2CCC(C)CC2C(=O)O)C1.
What is the InChIKey of 1-(3-methoxy-3-methylpiperidine-1-carbonyl)-4-methylpiperidine-2-carboxylic acid?
The InChIKey is IJSSRUJQGRASRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-11-5-8-17(12(9-11)13(18)19)14(20)16-7-4-6-15(2,10-16)21-3/h11-12H,4-10H2,1-3H3,(H,18,19).
What are the key properties of 1-(3-methoxy-3-methylpiperidine-1-carbonyl)-4-methylpiperidine-2-carboxylic acid?
1-(3-methoxy-3-methylpiperidine-1-carbonyl)-4-methylpiperidine-2-carboxylic acid has a molecular weight of 298.38 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-3-methylpiperidine-1-carbonyl)-4-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 107394008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).