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

C13H22N2O4 — CID 104941009

IUPAC(3R)-1-(4-hydroxy-3-methylpiperidine-1-carbonyl)piperidine-3-carboxylic acid
SMILESCC1CN(C(=O)N2CCC[C@@H](C(=O)O)C2)CCC1O
InChIInChI=1S/C13H22N2O4/c1-9-7-15(6-4-11(9)16)13(19)14-5-2-3-10(8-14)12(17)18/h9-11,16H,2-8H2,1H3,(H,17,18)/t9?,10-,11?/m1/s1
InChIKeyVYZZUSPYEOTLDX-HSOILSAZSA-N
MW270.33 g/mol
LogP0.61
Rot. Bonds1

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

(3R)-1-(4-hydroxy-3-methylpiperidine-1-carbonyl)piperidine-3-carboxylic acid (PubChem CID 104941009) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is (3R)-1-(4-hydroxy-3-methylpiperidine-1-carbonyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-(4-hydroxy-3-methylpiperidine-1-carbonyl)piperidine-3-carboxylic acid
PubChem CID104941009
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Name(3R)-1-(4-hydroxy-3-methylpiperidine-1-carbonyl)piperidine-3-carboxylic acid
SMILESCC1CN(C(=O)N2CCC[C@@H](C(=O)O)C2)CCC1O
InChIInChI=1S/C13H22N2O4/c1-9-7-15(6-4-11(9)16)13(19)14-5-2-3-10(8-14)12(17)18/h9-11,16H,2-8H2,1H3,(H,17,18)/t9?,10-,11?/m1/s1
InChIKeyVYZZUSPYEOTLDX-HSOILSAZSA-N
XLogP0.61
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-(3,4-dimethylpyrrolidine-1-carbonyl)piperidine-3-carboxylic acid
CID 81123191
(3R)-1-(3,4-dihydroxypyrrolidine-1-carbonyl)piperidine-3-carboxylic acid
CID 106670650
1-(4-methylazepane-1-carbonyl)piperidine-3-carboxylic acid
CID 63627410
(3R)-1-(3-methoxy-4-methylpiperidine-1-carbonyl)piperidine-3-carboxylic acid
CID 102962808
1-[4-(dimethylamino)piperidine-1-carbonyl]piperidine-3-carboxylic acid
CID 43586350
(3S)-1-(4-aminopiperidine-1-carbonyl)piperidine-3-carboxylic acid
CID 81125729
1-[3-(aminomethyl)pyrrolidine-1-carbonyl]piperidine-3-carboxylic acid
CID 62064175
1-[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]piperidine-3-carboxylic acid
CID 119136251
(3R)-1-(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)piperidine-3-carboxylic acid
CID 81120190
(3S)-1-(2-methylpyrrolidine-1-carbonyl)piperidine-3-carboxylic acid
CID 81126014
(3R)-1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carbonyl)piperidine-3-carboxylic acid
CID 81126775
(3R)-1-(4-methoxycarbonylpiperidine-1-carbonyl)piperidine-3-carboxylic acid
CID 81127706

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4-hydroxy-3-methylpiperidine-1-carbonyl)piperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-(4-hydroxy-3-methylpiperidine-1-carbonyl)piperidine-3-carboxylic acid (CID 104941009) is (3R)-1-(4-hydroxy-3-methylpiperidine-1-carbonyl)piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-(4-hydroxy-3-methylpiperidine-1-carbonyl)piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-(4-hydroxy-3-methylpiperidine-1-carbonyl)piperidine-3-carboxylic acid is CC1CN(C(=O)N2CCC[C@@H](C(=O)O)C2)CCC1O.
What is the InChIKey of (3R)-1-(4-hydroxy-3-methylpiperidine-1-carbonyl)piperidine-3-carboxylic acid?
The InChIKey is VYZZUSPYEOTLDX-HSOILSAZSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-9-7-15(6-4-11(9)16)13(19)14-5-2-3-10(8-14)12(17)18/h9-11,16H,2-8H2,1H3,(H,17,18)/t9?,10-,11?/m1/s1.
What are the key properties of (3R)-1-(4-hydroxy-3-methylpiperidine-1-carbonyl)piperidine-3-carboxylic acid?
(3R)-1-(4-hydroxy-3-methylpiperidine-1-carbonyl)piperidine-3-carboxylic acid has a molecular weight of 270.33 g/mol, XLogP of 0.61, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(4-hydroxy-3-methylpiperidine-1-carbonyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 104941009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).