(2R)-1-(2-butan-2-yloxypyridine-4-carbonyl)piperidine-2-carboxylic acid

C16H22N2O4 — CID 120537390

IUPAC(2R)-1-(2-butan-2-yloxypyridine-4-carbonyl)piperidine-2-carboxylic acid
SMILESCCC(C)Oc1cc(C(=O)N2CCCC[C@@H]2C(=O)O)ccn1
InChIInChI=1S/C16H22N2O4/c1-3-11(2)22-14-10-12(7-8-17-14)15(19)18-9-5-4-6-13(18)16(20)21/h7-8,10-11,13H,3-6,9H2,1-2H3,(H,20,21)/t11?,13-/m1/s1
InChIKeyPVSDCDVBGLRSFC-GLGOKHISSA-N
MW306.36 g/mol
LogP2.34
Rot. Bonds5

About (2R)-1-(2-butan-2-yloxypyridine-4-carbonyl)piperidine-2-carboxylic acid

(2R)-1-(2-butan-2-yloxypyridine-4-carbonyl)piperidine-2-carboxylic acid (PubChem CID 120537390) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is (2R)-1-(2-butan-2-yloxypyridine-4-carbonyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-(2-butan-2-yloxypyridine-4-carbonyl)piperidine-2-carboxylic acid
PubChem CID120537390
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC Name(2R)-1-(2-butan-2-yloxypyridine-4-carbonyl)piperidine-2-carboxylic acid
SMILESCCC(C)Oc1cc(C(=O)N2CCCC[C@@H]2C(=O)O)ccn1
InChIInChI=1S/C16H22N2O4/c1-3-11(2)22-14-10-12(7-8-17-14)15(19)18-9-5-4-6-13(18)16(20)21/h7-8,10-11,13H,3-6,9H2,1-2H3,(H,20,21)/t11?,13-/m1/s1
InChIKeyPVSDCDVBGLRSFC-GLGOKHISSA-N
XLogP2.34
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2-butan-2-yloxypyridine-4-carbonyl)thiomorpholin-3-yl]acetic acid
CID 120520600
(2-butan-2-yloxy-4-pyridinyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 75483584
[2-[(2R)-butan-2-yl]oxy-4-pyridinyl]-[4-(oxan-4-yl)piperidin-1-yl]methanone
CID 97338435
1-[3-[(2-butan-2-yloxyacetyl)amino]benzoyl]piperidine-2-carboxylic acid
CID 120526867
[2-[(2S)-butan-2-yl]oxy-4-pyridinyl]-[(3S)-3-hydroxy-3-methylpyrrolidin-1-yl]methanone
CID 99776885
(2-butan-2-yloxy-4-pyridinyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 75472306
[2-[(2R)-butan-2-yl]oxy-4-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 97337826
1-(3-propoxybenzoyl)piperidine-2-carboxylic acid
CID 62406215
methyl 1-(2-fluoropyridine-4-carbonyl)piperidine-2-carboxylate
CID 61295467
1-[4-(propan-2-ylcarbamoyl)benzoyl]piperidine-2-carboxylic acid
CID 120514922
methyl (2R)-1-[2-(cyclopropylmethoxy)pyridine-4-carbonyl]pyrrolidine-2-carboxylate
CID 124727916
1-[2-[(2-butan-2-yloxypyridine-4-carbonyl)-methylamino]acetyl]piperidine-4-carboxylic acid
CID 120525498

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2-butan-2-yloxypyridine-4-carbonyl)piperidine-2-carboxylic acid?
The IUPAC name of (2R)-1-(2-butan-2-yloxypyridine-4-carbonyl)piperidine-2-carboxylic acid (CID 120537390) is (2R)-1-(2-butan-2-yloxypyridine-4-carbonyl)piperidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-(2-butan-2-yloxypyridine-4-carbonyl)piperidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-(2-butan-2-yloxypyridine-4-carbonyl)piperidine-2-carboxylic acid is CCC(C)Oc1cc(C(=O)N2CCCC[C@@H]2C(=O)O)ccn1.
What is the InChIKey of (2R)-1-(2-butan-2-yloxypyridine-4-carbonyl)piperidine-2-carboxylic acid?
The InChIKey is PVSDCDVBGLRSFC-GLGOKHISSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-3-11(2)22-14-10-12(7-8-17-14)15(19)18-9-5-4-6-13(18)16(20)21/h7-8,10-11,13H,3-6,9H2,1-2H3,(H,20,21)/t11?,13-/m1/s1.
What are the key properties of (2R)-1-(2-butan-2-yloxypyridine-4-carbonyl)piperidine-2-carboxylic acid?
(2R)-1-(2-butan-2-yloxypyridine-4-carbonyl)piperidine-2-carboxylic acid has a molecular weight of 306.36 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2-butan-2-yloxypyridine-4-carbonyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 120537390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).