1-(5-chloro-6-propan-2-yloxypyridine-3-carbonyl)piperidine-3-carboxylic acid

C15H19ClN2O4 — CID 75421699

IUPAC1-(5-chloro-6-propan-2-yloxypyridine-3-carbonyl)piperidine-3-carboxylic acid
SMILESCC(C)Oc1ncc(C(=O)N2CCCC(C(=O)O)C2)cc1Cl
InChIInChI=1S/C15H19ClN2O4/c1-9(2)22-13-12(16)6-11(7-17-13)14(19)18-5-3-4-10(8-18)15(20)21/h6-7,9-10H,3-5,8H2,1-2H3,(H,20,21)
InChIKeyAFLLJONKRMVEEL-UHFFFAOYSA-N
MW326.78 g/mol
LogP2.46
Rot. Bonds4

About 1-(5-chloro-6-propan-2-yloxypyridine-3-carbonyl)piperidine-3-carboxylic acid

1-(5-chloro-6-propan-2-yloxypyridine-3-carbonyl)piperidine-3-carboxylic acid (PubChem CID 75421699) has the molecular formula C15H19ClN2O4 and a molecular weight of 326.78 g/mol. Its IUPAC name is 1-(5-chloro-6-propan-2-yloxypyridine-3-carbonyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(5-chloro-6-propan-2-yloxypyridine-3-carbonyl)piperidine-3-carboxylic acid
PubChem CID75421699
Molecular FormulaC15H19ClN2O4
Molecular Weight326.78 g/mol
Exact Mass326.10
IUPAC Name1-(5-chloro-6-propan-2-yloxypyridine-3-carbonyl)piperidine-3-carboxylic acid
SMILESCC(C)Oc1ncc(C(=O)N2CCCC(C(=O)O)C2)cc1Cl
InChIInChI=1S/C15H19ClN2O4/c1-9(2)22-13-12(16)6-11(7-17-13)14(19)18-5-3-4-10(8-18)15(20)21/h6-7,9-10H,3-5,8H2,1-2H3,(H,20,21)
InChIKeyAFLLJONKRMVEEL-UHFFFAOYSA-N
XLogP2.46
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.78
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5-chloro-6-propan-2-yloxypyridine-3-carbonyl)morpholine-2-carboxylic acid
CID 126794365
1-(5-chloro-6-ethoxypyridine-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 120533892
[1-(5-chloro-6-propan-2-yloxypyridine-3-carbonyl)piperidin-4-yl]-morpholin-4-ylmethanone
CID 55854581
(5-chloro-6-propan-2-yloxy-3-pyridinyl)-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone
CID 71927930
1-(5,6-dichloropyridine-3-carbonyl)piperidine-3-carboxamide
CID 43079586
[2-(4-chlorophenyl)morpholin-4-yl]-(5-chloro-6-propan-2-yloxy-3-pyridinyl)methanone
CID 55947772
(3S)-1-[3-chloro-5-methoxy-4-(3-methylbutoxy)benzoyl]piperidine-3-carboxylic acid
CID 119113443
1-(3,5-dichlorobenzoyl)piperidine-3-carboxylic acid
CID 16774326
1-(5-chloro-2-propan-2-ylpyrimidine-4-carbonyl)piperidine-3-carboxylic acid
CID 62087401
(3R,6S)-1-(5-chloro-6-propan-2-yloxypyridine-3-carbonyl)-6-methylpiperidine-3-carboxamide
CID 95584937
(5-chloro-6-propan-2-yloxy-3-pyridinyl)-(2-pyridin-2-ylpyrrolidin-1-yl)methanone
CID 56819037
(3S)-1-(3-chloro-5-ethoxy-4-propoxybenzoyl)piperidine-3-carboxylic acid
CID 119113678

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-6-propan-2-yloxypyridine-3-carbonyl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(5-chloro-6-propan-2-yloxypyridine-3-carbonyl)piperidine-3-carboxylic acid (CID 75421699) is 1-(5-chloro-6-propan-2-yloxypyridine-3-carbonyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(5-chloro-6-propan-2-yloxypyridine-3-carbonyl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(5-chloro-6-propan-2-yloxypyridine-3-carbonyl)piperidine-3-carboxylic acid is CC(C)Oc1ncc(C(=O)N2CCCC(C(=O)O)C2)cc1Cl.
What is the InChIKey of 1-(5-chloro-6-propan-2-yloxypyridine-3-carbonyl)piperidine-3-carboxylic acid?
The InChIKey is AFLLJONKRMVEEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O4/c1-9(2)22-13-12(16)6-11(7-17-13)14(19)18-5-3-4-10(8-18)15(20)21/h6-7,9-10H,3-5,8H2,1-2H3,(H,20,21).
What are the key properties of 1-(5-chloro-6-propan-2-yloxypyridine-3-carbonyl)piperidine-3-carboxylic acid?
1-(5-chloro-6-propan-2-yloxypyridine-3-carbonyl)piperidine-3-carboxylic acid has a molecular weight of 326.78 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-6-propan-2-yloxypyridine-3-carbonyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 75421699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).