3-chloro-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxypyridine-4-carboxylic acid

C16H21ClN2O5 — CID 130406230

IUPAC3-chloro-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxypyridine-4-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCC(Oc2nccc(C(=O)O)c2Cl)CC1
InChIInChI=1S/C16H21ClN2O5/c1-16(2,3)24-15(22)19-8-5-10(6-9-19)23-13-12(17)11(14(20)21)4-7-18-13/h4,7,10H,5-6,8-9H2,1-3H3,(H,20,21)
InChIKeyLIUSKFKHUSVYRN-UHFFFAOYSA-N
MW356.81 g/mol
LogP3.21
Rot. Bonds3

About 3-chloro-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxypyridine-4-carboxylic acid

3-chloro-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxypyridine-4-carboxylic acid (PubChem CID 130406230) has the molecular formula C16H21ClN2O5 and a molecular weight of 356.81 g/mol. Its IUPAC name is 3-chloro-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxypyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-chloro-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxypyridine-4-carboxylic acid
PubChem CID130406230
Molecular FormulaC16H21ClN2O5
Molecular Weight356.81 g/mol
Exact Mass356.11
IUPAC Name3-chloro-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxypyridine-4-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCC(Oc2nccc(C(=O)O)c2Cl)CC1
InChIInChI=1S/C16H21ClN2O5/c1-16(2,3)24-15(22)19-8-5-10(6-9-19)23-13-12(17)11(14(20)21)4-7-18-13/h4,7,10H,5-6,8-9H2,1-3H3,(H,20,21)
InChIKeyLIUSKFKHUSVYRN-UHFFFAOYSA-N
XLogP3.21
TPSA88.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-chloro-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxypyridine-4-carboxylic acid with MolForge

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Related Compounds

tert-butyl (3R)-3-(3-chloropyrazin-2-yl)oxypyrrolidine-1-carboxylate
CID 58548011
tert-butyl 3-(3-chloropyrazin-2-yl)oxypyrrolidine-1-carboxylate
CID 76819357
2-methoxy-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxybenzoic acid
CID 10545874
tert-butyl 4-[(2,6-dichloro-4-pyridinyl)oxy]piperidine-1-carboxylate
CID 139300514
5-chloro-2-methoxy-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxybenzoic acid
CID 59564264
tert-butyl (3R)-3-[(3-bromo-2-pyridinyl)oxy]pyrrolidine-1-carboxylate
CID 97102850
tert-butyl 4-(6-methylquinolin-4-yl)oxypiperidine-1-carboxylate
CID 143199953
tert-butyl 4-[[2-(methylsulfonyloxymethyl)-4-pyridinyl]oxy]piperidine-1-carboxylate
CID 164602392
tert-butyl 4-pyrazin-2-yloxypiperidine-1-carboxylate;ethane
CID 46739871
tert-butyl 4-(5-amino-2-chlorophenoxy)piperidine-1-carboxylate
CID 171833683
tert-butyl 4-(5-bromo-3-methylpyrazin-2-yl)oxypiperidine-1-carboxylate
CID 167350484
tert-butyl 4-(4-chloro-3-fluorophenoxy)piperidine-1-carboxylate
CID 24902450

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxypyridine-4-carboxylic acid?
The IUPAC name of 3-chloro-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxypyridine-4-carboxylic acid (CID 130406230) is 3-chloro-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxypyridine-4-carboxylic acid.
What is the SMILES notation for 3-chloro-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxypyridine-4-carboxylic acid?
The canonical SMILES for 3-chloro-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxypyridine-4-carboxylic acid is CC(C)(C)OC(=O)N1CCC(Oc2nccc(C(=O)O)c2Cl)CC1.
What is the InChIKey of 3-chloro-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxypyridine-4-carboxylic acid?
The InChIKey is LIUSKFKHUSVYRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O5/c1-16(2,3)24-15(22)19-8-5-10(6-9-19)23-13-12(17)11(14(20)21)4-7-18-13/h4,7,10H,5-6,8-9H2,1-3H3,(H,20,21).
What are the key properties of 3-chloro-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxypyridine-4-carboxylic acid?
3-chloro-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxypyridine-4-carboxylic acid has a molecular weight of 356.81 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxypyridine-4-carboxylic acid is sourced from PubChem (CID 130406230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).