4-[4-[(3-ethyl-4-pyridinyl)oxy]cyclohexyl]oxypiperidine-1-carboxylic acid

C19H28N2O4 — CID 123196855

IUPAC4-[4-[(3-ethyl-4-pyridinyl)oxy]cyclohexyl]oxypiperidine-1-carboxylic acid
SMILESCCc1cnccc1OC1CCC(OC2CCN(C(=O)O)CC2)CC1
InChIInChI=1S/C19H28N2O4/c1-2-14-13-20-10-7-18(14)25-16-5-3-15(4-6-16)24-17-8-11-21(12-9-17)19(22)23/h7,10,13,15-17H,2-6,8-9,11-12H2,1H3,(H,22,23)
InChIKeyNXQREXGCGOIHGP-UHFFFAOYSA-N
MW348.44 g/mol
LogP3.49
Rot. Bonds5

About 4-[4-[(3-ethyl-4-pyridinyl)oxy]cyclohexyl]oxypiperidine-1-carboxylic acid

4-[4-[(3-ethyl-4-pyridinyl)oxy]cyclohexyl]oxypiperidine-1-carboxylic acid (PubChem CID 123196855) has the molecular formula C19H28N2O4 and a molecular weight of 348.44 g/mol. Its IUPAC name is 4-[4-[(3-ethyl-4-pyridinyl)oxy]cyclohexyl]oxypiperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[4-[(3-ethyl-4-pyridinyl)oxy]cyclohexyl]oxypiperidine-1-carboxylic acid
PubChem CID123196855
Molecular FormulaC19H28N2O4
Molecular Weight348.44 g/mol
Exact Mass348.20
IUPAC Name4-[4-[(3-ethyl-4-pyridinyl)oxy]cyclohexyl]oxypiperidine-1-carboxylic acid
SMILESCCc1cnccc1OC1CCC(OC2CCN(C(=O)O)CC2)CC1
InChIInChI=1S/C19H28N2O4/c1-2-14-13-20-10-7-18(14)25-16-5-3-15(4-6-16)24-17-8-11-21(12-9-17)19(22)23/h7,10,13,15-17H,2-6,8-9,11-12H2,1H3,(H,22,23)
InChIKeyNXQREXGCGOIHGP-UHFFFAOYSA-N
XLogP3.49
TPSA71.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-pyridin-4-yloxycyclohexyl)oxypiperidine-1-carboxylic acid
CID 123525099
[(2R)-1,1,1-trifluoropropan-2-yl] 4-[4-[(3-iodo-4-pyridinyl)oxy]cyclohexyl]oxypiperidine-1-carboxylate
CID 71491103
3-(4-ethylcyclohexyl)oxypyridine-4-carboxylic acid
CID 81445886
2-amino-1-[4-[(4-methyl-3-pyridinyl)oxy]piperidin-1-yl]ethanone
CID 67480242
1-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]-2-ethoxyethanone
CID 119100246
4-[4-[(5-methylsulfonyl-2-pyridinyl)oxy]cyclohexyl]oxypiperidine-1-carboxylic acid
CID 71224944
3-[(4-cyano-3-pyridinyl)oxy]pyrrolidine-1-carboxylic acid
CID 139331666
2-cyclopropyl-2-methyl-1-[4-[(3-methyl-4-pyridinyl)oxy]piperidin-1-yl]propan-1-one
CID 126811975
(4R)-1-ethyl-4-[4-[(3-methyl-4-pyridinyl)oxy]piperidine-1-carbonyl]pyrrolidin-2-one
CID 125139087
4-[4-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxycyclohexyl]oxypyridine-3-carbonitrile
CID 71491294
4-[4-(4-cyanophenoxy)cyclohexyl]oxypiperidine-1-carboxylic acid
CID 71224929
4-[(5-methyl-2-pyridinyl)oxy]piperidine-1-carboxylic acid
CID 126505601

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(3-ethyl-4-pyridinyl)oxy]cyclohexyl]oxypiperidine-1-carboxylic acid?
The IUPAC name of 4-[4-[(3-ethyl-4-pyridinyl)oxy]cyclohexyl]oxypiperidine-1-carboxylic acid (CID 123196855) is 4-[4-[(3-ethyl-4-pyridinyl)oxy]cyclohexyl]oxypiperidine-1-carboxylic acid.
What is the SMILES notation for 4-[4-[(3-ethyl-4-pyridinyl)oxy]cyclohexyl]oxypiperidine-1-carboxylic acid?
The canonical SMILES for 4-[4-[(3-ethyl-4-pyridinyl)oxy]cyclohexyl]oxypiperidine-1-carboxylic acid is CCc1cnccc1OC1CCC(OC2CCN(C(=O)O)CC2)CC1.
What is the InChIKey of 4-[4-[(3-ethyl-4-pyridinyl)oxy]cyclohexyl]oxypiperidine-1-carboxylic acid?
The InChIKey is NXQREXGCGOIHGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O4/c1-2-14-13-20-10-7-18(14)25-16-5-3-15(4-6-16)24-17-8-11-21(12-9-17)19(22)23/h7,10,13,15-17H,2-6,8-9,11-12H2,1H3,(H,22,23).
What are the key properties of 4-[4-[(3-ethyl-4-pyridinyl)oxy]cyclohexyl]oxypiperidine-1-carboxylic acid?
4-[4-[(3-ethyl-4-pyridinyl)oxy]cyclohexyl]oxypiperidine-1-carboxylic acid has a molecular weight of 348.44 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(3-ethyl-4-pyridinyl)oxy]cyclohexyl]oxypiperidine-1-carboxylic acid is sourced from PubChem (CID 123196855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).