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

C15H25NO4 — CID 102956696

IUPAC2-(3-methoxy-4-methylpiperidine-1-carbonyl)-4-methylcyclopentane-1-carboxylic acid
SMILESCOC1CN(C(=O)C2CC(C)CC2C(=O)O)CCC1C
InChIInChI=1S/C15H25NO4/c1-9-6-11(12(7-9)15(18)19)14(17)16-5-4-10(2)13(8-16)20-3/h9-13H,4-8H2,1-3H3,(H,18,19)
InChIKeyNIMXCAFQCOJLQW-UHFFFAOYSA-N
MW283.37 g/mol
LogP1.62
Rot. Bonds3

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

2-(3-methoxy-4-methylpiperidine-1-carbonyl)-4-methylcyclopentane-1-carboxylic acid (PubChem CID 102956696) has the molecular formula C15H25NO4 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-(3-methoxy-4-methylpiperidine-1-carbonyl)-4-methylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-(3-methoxy-4-methylpiperidine-1-carbonyl)-4-methylcyclopentane-1-carboxylic acid
PubChem CID102956696
Molecular FormulaC15H25NO4
Molecular Weight283.37 g/mol
Exact Mass283.18
IUPAC Name2-(3-methoxy-4-methylpiperidine-1-carbonyl)-4-methylcyclopentane-1-carboxylic acid
SMILESCOC1CN(C(=O)C2CC(C)CC2C(=O)O)CCC1C
InChIInChI=1S/C15H25NO4/c1-9-6-11(12(7-9)15(18)19)14(17)16-5-4-10(2)13(8-16)20-3/h9-13H,4-8H2,1-3H3,(H,18,19)
InChIKeyNIMXCAFQCOJLQW-UHFFFAOYSA-N
XLogP1.62
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methoxy-4-methylpiperidine-1-carbonyl)-2-methylpyrrolidine-3-carboxylic acid
CID 102962516
(3-methoxy-4-methylpiperidin-1-yl)-[4-(methylamino)oxolan-3-yl]methanone
CID 102957376
2-[3-(diethylamino)pyrrolidine-1-carbonyl]-4-methylcyclopentane-1-carboxylic acid
CID 114390981
(3R)-1-(3-methoxy-4-methylpiperidine-1-carbonyl)piperidine-3-carboxylic acid
CID 102962808
1-(3-methoxy-4-methylpiperidin-1-yl)-2-methyl-2-(methylamino)propan-1-one
CID 102957368
(2S)-1-(3-methoxy-4-methylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 102962553
(3-methoxy-4-methylpiperidin-1-yl)-piperidin-2-ylmethanone
CID 102957446
[(3S)-3-methoxypyrrolidin-1-yl]-(2-methylcyclopropyl)methanone
CID 131201233
3-chloro-1-(3-methoxy-4-methylpiperidin-1-yl)propan-1-one
CID 102956855
(1-aminocyclopropyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone
CID 102957458
4-[(3-methoxy-4-methylpiperidine-1-carbonyl)amino]pentanoic acid
CID 102962668
4-methyl-2-(piperazine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 114390795

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-4-methylpiperidine-1-carbonyl)-4-methylcyclopentane-1-carboxylic acid?
The IUPAC name of 2-(3-methoxy-4-methylpiperidine-1-carbonyl)-4-methylcyclopentane-1-carboxylic acid (CID 102956696) is 2-(3-methoxy-4-methylpiperidine-1-carbonyl)-4-methylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-(3-methoxy-4-methylpiperidine-1-carbonyl)-4-methylcyclopentane-1-carboxylic acid?
The canonical SMILES for 2-(3-methoxy-4-methylpiperidine-1-carbonyl)-4-methylcyclopentane-1-carboxylic acid is COC1CN(C(=O)C2CC(C)CC2C(=O)O)CCC1C.
What is the InChIKey of 2-(3-methoxy-4-methylpiperidine-1-carbonyl)-4-methylcyclopentane-1-carboxylic acid?
The InChIKey is NIMXCAFQCOJLQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO4/c1-9-6-11(12(7-9)15(18)19)14(17)16-5-4-10(2)13(8-16)20-3/h9-13H,4-8H2,1-3H3,(H,18,19).
What are the key properties of 2-(3-methoxy-4-methylpiperidine-1-carbonyl)-4-methylcyclopentane-1-carboxylic acid?
2-(3-methoxy-4-methylpiperidine-1-carbonyl)-4-methylcyclopentane-1-carboxylic acid has a molecular weight of 283.37 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-4-methylpiperidine-1-carbonyl)-4-methylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 102956696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).