4-(4-pyridin-4-yloxycyclohexyl)oxypiperidine-1-carboxylic acid

C17H24N2O4 — CID 123525099

IUPAC4-(4-pyridin-4-yloxycyclohexyl)oxypiperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(OC2CCC(Oc3ccncc3)CC2)CC1
InChIInChI=1S/C17H24N2O4/c20-17(21)19-11-7-16(8-12-19)23-14-3-1-13(2-4-14)22-15-5-9-18-10-6-15/h5-6,9-10,13-14,16H,1-4,7-8,11-12H2,(H,20,21)
InChIKeyBHVAFKZDVRTFIF-UHFFFAOYSA-N
MW320.39 g/mol
LogP2.93
Rot. Bonds4

About 4-(4-pyridin-4-yloxycyclohexyl)oxypiperidine-1-carboxylic acid

4-(4-pyridin-4-yloxycyclohexyl)oxypiperidine-1-carboxylic acid (PubChem CID 123525099) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is 4-(4-pyridin-4-yloxycyclohexyl)oxypiperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(4-pyridin-4-yloxycyclohexyl)oxypiperidine-1-carboxylic acid
PubChem CID123525099
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Name4-(4-pyridin-4-yloxycyclohexyl)oxypiperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(OC2CCC(Oc3ccncc3)CC2)CC1
InChIInChI=1S/C17H24N2O4/c20-17(21)19-11-7-16(8-12-19)23-14-3-1-13(2-4-14)22-15-5-9-18-10-6-15/h5-6,9-10,13-14,16H,1-4,7-8,11-12H2,(H,20,21)
InChIKeyBHVAFKZDVRTFIF-UHFFFAOYSA-N
XLogP2.93
TPSA71.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(4-cyanophenoxy)cyclohexyl]oxypiperidine-1-carboxylic acid
CID 71224929
4-[4-[(3-ethyl-4-pyridinyl)oxy]cyclohexyl]oxypiperidine-1-carboxylic acid
CID 123196855
2,2-dimethyl-1-[(3R)-3-pyridin-4-yloxypyrrolidin-1-yl]propan-1-one
CID 124568628
2-phenyl-1-(4-pyridin-4-yloxypiperidin-1-yl)butan-1-one
CID 91815923
cyclobutyl-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]methanone
CID 90617078
1H-pyrazol-4-yl-(4-pyridin-4-yloxypiperidin-1-yl)methanone
CID 131929770
4-(1-methylpiperidin-4-yl)oxypyridine
CID 18723159
N-(cyclohexylmethyl)-4-pyridin-4-yloxypiperidine-1-carboxamide
CID 119070282
cyclopentyl-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]methanone
CID 90617330
cyclohexyl-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]methanone
CID 90617385
[1-(4-fluorophenyl)cyclopropyl]-(4-pyridin-4-yloxypiperidin-1-yl)methanone
CID 72939906
(1-phenylcyclopropyl)-(3-pyridin-4-yloxypyrrolidin-1-yl)methanone
CID 71852474

Frequently Asked Questions

What is the IUPAC name of 4-(4-pyridin-4-yloxycyclohexyl)oxypiperidine-1-carboxylic acid?
The IUPAC name of 4-(4-pyridin-4-yloxycyclohexyl)oxypiperidine-1-carboxylic acid (CID 123525099) is 4-(4-pyridin-4-yloxycyclohexyl)oxypiperidine-1-carboxylic acid.
What is the SMILES notation for 4-(4-pyridin-4-yloxycyclohexyl)oxypiperidine-1-carboxylic acid?
The canonical SMILES for 4-(4-pyridin-4-yloxycyclohexyl)oxypiperidine-1-carboxylic acid is O=C(O)N1CCC(OC2CCC(Oc3ccncc3)CC2)CC1.
What is the InChIKey of 4-(4-pyridin-4-yloxycyclohexyl)oxypiperidine-1-carboxylic acid?
The InChIKey is BHVAFKZDVRTFIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4/c20-17(21)19-11-7-16(8-12-19)23-14-3-1-13(2-4-14)22-15-5-9-18-10-6-15/h5-6,9-10,13-14,16H,1-4,7-8,11-12H2,(H,20,21).
What are the key properties of 4-(4-pyridin-4-yloxycyclohexyl)oxypiperidine-1-carboxylic acid?
4-(4-pyridin-4-yloxycyclohexyl)oxypiperidine-1-carboxylic acid has a molecular weight of 320.39 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-pyridin-4-yloxycyclohexyl)oxypiperidine-1-carboxylic acid is sourced from PubChem (CID 123525099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).