(3R)-1-(3-methoxy-4-methylpiperidine-1-carbonyl)piperidine-3-carboxylic acid

C14H24N2O4 — CID 102962808

IUPAC(3R)-1-(3-methoxy-4-methylpiperidine-1-carbonyl)piperidine-3-carboxylic acid
SMILESCOC1CN(C(=O)N2CCC[C@@H](C(=O)O)C2)CCC1C
InChIInChI=1S/C14H24N2O4/c1-10-5-7-16(9-12(10)20-2)14(19)15-6-3-4-11(8-15)13(17)18/h10-12H,3-9H2,1-2H3,(H,17,18)/t10?,11-,12?/m1/s1
InChIKeyXWHOZSIBXUEWRP-MOENNCHZSA-N
MW284.36 g/mol
LogP1.26
Rot. Bonds2

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

(3R)-1-(3-methoxy-4-methylpiperidine-1-carbonyl)piperidine-3-carboxylic acid (PubChem CID 102962808) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is (3R)-1-(3-methoxy-4-methylpiperidine-1-carbonyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-(3-methoxy-4-methylpiperidine-1-carbonyl)piperidine-3-carboxylic acid
PubChem CID102962808
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name(3R)-1-(3-methoxy-4-methylpiperidine-1-carbonyl)piperidine-3-carboxylic acid
SMILESCOC1CN(C(=O)N2CCC[C@@H](C(=O)O)C2)CCC1C
InChIInChI=1S/C14H24N2O4/c1-10-5-7-16(9-12(10)20-2)14(19)15-6-3-4-11(8-15)13(17)18/h10-12H,3-9H2,1-2H3,(H,17,18)/t10?,11-,12?/m1/s1
InChIKeyXWHOZSIBXUEWRP-MOENNCHZSA-N
XLogP1.26
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-(3,4-dimethylpyrrolidine-1-carbonyl)piperidine-3-carboxylic acid
CID 81123191
(2S)-1-(3-methoxy-4-methylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 102962553
(3R)-1-(4-hydroxy-3-methylpiperidine-1-carbonyl)piperidine-3-carboxylic acid
CID 104941009
1-(4-methylazepane-1-carbonyl)piperidine-3-carboxylic acid
CID 63627410
(3R)-1-(4-methoxycarbonylpiperidine-1-carbonyl)piperidine-3-carboxylic acid
CID 81127706
1-(3-methoxy-4-methylpiperidine-1-carbonyl)-2-methylpyrrolidine-3-carboxylic acid
CID 102962516
1-[4-(dimethylamino)piperidine-1-carbonyl]piperidine-3-carboxylic acid
CID 43586350
(3,4-dimethoxypyrrolidin-1-yl)-piperidin-1-ylmethanone
CID 103532063
(3S)-1-(4-aminopiperidine-1-carbonyl)piperidine-3-carboxylic acid
CID 81125729
1-[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]piperidine-3-carboxylic acid
CID 119136251
(3R)-1-(3,4-dihydroxypyrrolidine-1-carbonyl)piperidine-3-carboxylic acid
CID 106670650
(3R)-1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carbonyl)piperidine-3-carboxylic acid
CID 81126775

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(3-methoxy-4-methylpiperidine-1-carbonyl)piperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-(3-methoxy-4-methylpiperidine-1-carbonyl)piperidine-3-carboxylic acid (CID 102962808) is (3R)-1-(3-methoxy-4-methylpiperidine-1-carbonyl)piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-(3-methoxy-4-methylpiperidine-1-carbonyl)piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-(3-methoxy-4-methylpiperidine-1-carbonyl)piperidine-3-carboxylic acid is COC1CN(C(=O)N2CCC[C@@H](C(=O)O)C2)CCC1C.
What is the InChIKey of (3R)-1-(3-methoxy-4-methylpiperidine-1-carbonyl)piperidine-3-carboxylic acid?
The InChIKey is XWHOZSIBXUEWRP-MOENNCHZSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-10-5-7-16(9-12(10)20-2)14(19)15-6-3-4-11(8-15)13(17)18/h10-12H,3-9H2,1-2H3,(H,17,18)/t10?,11-,12?/m1/s1.
What are the key properties of (3R)-1-(3-methoxy-4-methylpiperidine-1-carbonyl)piperidine-3-carboxylic acid?
(3R)-1-(3-methoxy-4-methylpiperidine-1-carbonyl)piperidine-3-carboxylic acid has a molecular weight of 284.36 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(3-methoxy-4-methylpiperidine-1-carbonyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 102962808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).