1-(2-cyclohexyloxypyridine-4-carbonyl)-4-hydroxypiperidine-4-carboxylic acid

C18H24N2O5 — CID 120528150

IUPAC1-(2-cyclohexyloxypyridine-4-carbonyl)-4-hydroxypiperidine-4-carboxylic acid
SMILESO=C(c1ccnc(OC2CCCCC2)c1)N1CCC(O)(C(=O)O)CC1
InChIInChI=1S/C18H24N2O5/c21-16(20-10-7-18(24,8-11-20)17(22)23)13-6-9-19-15(12-13)25-14-4-2-1-3-5-14/h6,9,12,14,24H,1-5,7-8,10-11H2,(H,22,23)
InChIKeyIWCMIJWUCBKPIV-UHFFFAOYSA-N
MW348.40 g/mol
LogP1.84
Rot. Bonds4

About 1-(2-cyclohexyloxypyridine-4-carbonyl)-4-hydroxypiperidine-4-carboxylic acid

1-(2-cyclohexyloxypyridine-4-carbonyl)-4-hydroxypiperidine-4-carboxylic acid (PubChem CID 120528150) has the molecular formula C18H24N2O5 and a molecular weight of 348.40 g/mol. Its IUPAC name is 1-(2-cyclohexyloxypyridine-4-carbonyl)-4-hydroxypiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(2-cyclohexyloxypyridine-4-carbonyl)-4-hydroxypiperidine-4-carboxylic acid
PubChem CID120528150
Molecular FormulaC18H24N2O5
Molecular Weight348.40 g/mol
Exact Mass348.17
IUPAC Name1-(2-cyclohexyloxypyridine-4-carbonyl)-4-hydroxypiperidine-4-carboxylic acid
SMILESO=C(c1ccnc(OC2CCCCC2)c1)N1CCC(O)(C(=O)O)CC1
InChIInChI=1S/C18H24N2O5/c21-16(20-10-7-18(24,8-11-20)17(22)23)13-6-9-19-15(12-13)25-14-4-2-1-3-5-14/h6,9,12,14,24H,1-5,7-8,10-11H2,(H,22,23)
InChIKeyIWCMIJWUCBKPIV-UHFFFAOYSA-N
XLogP1.84
TPSA99.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-cyclobutyloxypyridine-4-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 120529143
(2-cyclohexyloxy-4-pyridinyl)-(2-ethoxy-6-azaspiro[3.4]octan-6-yl)methanone
CID 126799880
(2-cyclohexyloxy-4-pyridinyl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 110023950
(1S,6R,7R)-3-(2-cyclobutyloxypyridine-4-carbonyl)-3-azabicyclo[4.1.0]heptane-7-carboxylic acid
CID 167883339
2-(2-cyclobutyloxypyridine-4-carbonyl)-3,4-dihydro-1H-isoquinoline-7-carboxylic acid
CID 120535066
1-(2-cyclohexyloxypyridine-4-carbonyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 126790565
[(2R)-4-(2-cyclohexyloxypyridine-4-carbonyl)morpholin-2-yl]-cyclopropylmethanone
CID 99801024
(3aS,7aS)-2-(2-cyclobutyloxypyridine-4-carbonyl)-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrole-7a-carboxylic acid
CID 120628846
1-(2-cyclohexyloxypyridine-4-carbonyl)-2,4-dihydropyrido[3,4-b]pyrazin-3-one
CID 127736362
3-fluoro-1-[2-(oxolan-3-yloxy)pyridine-4-carbonyl]pyrrolidine-3-carboxylic acid
CID 120529740
(2-cyclobutyloxy-4-pyridinyl)-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 75392914
3-[(2-cyclobutyloxypyridine-4-carbonyl)amino]oxolane-3-carboxylic acid
CID 120532705

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexyloxypyridine-4-carbonyl)-4-hydroxypiperidine-4-carboxylic acid?
The IUPAC name of 1-(2-cyclohexyloxypyridine-4-carbonyl)-4-hydroxypiperidine-4-carboxylic acid (CID 120528150) is 1-(2-cyclohexyloxypyridine-4-carbonyl)-4-hydroxypiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(2-cyclohexyloxypyridine-4-carbonyl)-4-hydroxypiperidine-4-carboxylic acid?
The canonical SMILES for 1-(2-cyclohexyloxypyridine-4-carbonyl)-4-hydroxypiperidine-4-carboxylic acid is O=C(c1ccnc(OC2CCCCC2)c1)N1CCC(O)(C(=O)O)CC1.
What is the InChIKey of 1-(2-cyclohexyloxypyridine-4-carbonyl)-4-hydroxypiperidine-4-carboxylic acid?
The InChIKey is IWCMIJWUCBKPIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O5/c21-16(20-10-7-18(24,8-11-20)17(22)23)13-6-9-19-15(12-13)25-14-4-2-1-3-5-14/h6,9,12,14,24H,1-5,7-8,10-11H2,(H,22,23).
What are the key properties of 1-(2-cyclohexyloxypyridine-4-carbonyl)-4-hydroxypiperidine-4-carboxylic acid?
1-(2-cyclohexyloxypyridine-4-carbonyl)-4-hydroxypiperidine-4-carboxylic acid has a molecular weight of 348.40 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexyloxypyridine-4-carbonyl)-4-hydroxypiperidine-4-carboxylic acid is sourced from PubChem (CID 120528150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).