4-[4-(4-cyanophenoxy)cyclohexyl]oxypiperidine-1-carboxylic acid

C19H24N2O4 — CID 71224929

IUPAC4-[4-(4-cyanophenoxy)cyclohexyl]oxypiperidine-1-carboxylic acid
SMILESN#Cc1ccc(OC2CCC(OC3CCN(C(=O)O)CC3)CC2)cc1
InChIInChI=1S/C19H24N2O4/c20-13-14-1-3-15(4-2-14)24-16-5-7-17(8-6-16)25-18-9-11-21(12-10-18)19(22)23/h1-4,16-18H,5-12H2,(H,22,23)
InChIKeyWQKAKDIGKIOUDQ-UHFFFAOYSA-N
MW344.41 g/mol
LogP3.41
Rot. Bonds4

About 4-[4-(4-cyanophenoxy)cyclohexyl]oxypiperidine-1-carboxylic acid

4-[4-(4-cyanophenoxy)cyclohexyl]oxypiperidine-1-carboxylic acid (PubChem CID 71224929) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is 4-[4-(4-cyanophenoxy)cyclohexyl]oxypiperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[4-(4-cyanophenoxy)cyclohexyl]oxypiperidine-1-carboxylic acid
PubChem CID71224929
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Name4-[4-(4-cyanophenoxy)cyclohexyl]oxypiperidine-1-carboxylic acid
SMILESN#Cc1ccc(OC2CCC(OC3CCN(C(=O)O)CC3)CC2)cc1
InChIInChI=1S/C19H24N2O4/c20-13-14-1-3-15(4-2-14)24-16-5-7-17(8-6-16)25-18-9-11-21(12-10-18)19(22)23/h1-4,16-18H,5-12H2,(H,22,23)
InChIKeyWQKAKDIGKIOUDQ-UHFFFAOYSA-N
XLogP3.41
TPSA82.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(1-acetylpiperidin-4-yl)oxyphenyl]benzonitrile
CID 24732829
4-(4-pyridin-4-yloxycyclohexyl)oxypiperidine-1-carboxylic acid
CID 123525099
4-[1-[(1S,6R)-bicyclo[4.1.0]heptane-7-carbonyl]piperidin-4-yl]oxybenzonitrile
CID 95907426
4-[[4-(4-cyanophenoxy)piperidine-1-carbonyl]amino]butanoic acid
CID 122021250
4-[[4-(4-cyanophenoxy)piperidin-1-yl]methyl]benzoic acid
CID 122028993
4-(4-cyanoanilino)piperidine-1-carboxylic acid
CID 69182626
4-[1-[(2S)-2-(dimethylamino)pentanoyl]piperidin-4-yl]oxybenzonitrile
CID 97250074
4-[1-(2,3-dihydro-1H-indene-4-carbonyl)piperidin-4-yl]oxybenzonitrile
CID 127281932
4-[4-[1-(3-methoxybenzoyl)piperidin-4-yl]oxyphenyl]benzonitrile
CID 24732831
4-naphthalen-2-yloxypiperidine-1-carboxylic acid
CID 18423340
4-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]benzonitrile
CID 143692391
3-[3-(3-cyanophenyl)phenoxy]pyrrolidine-1-carboxylic acid
CID 89480712

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-cyanophenoxy)cyclohexyl]oxypiperidine-1-carboxylic acid?
The IUPAC name of 4-[4-(4-cyanophenoxy)cyclohexyl]oxypiperidine-1-carboxylic acid (CID 71224929) is 4-[4-(4-cyanophenoxy)cyclohexyl]oxypiperidine-1-carboxylic acid.
What is the SMILES notation for 4-[4-(4-cyanophenoxy)cyclohexyl]oxypiperidine-1-carboxylic acid?
The canonical SMILES for 4-[4-(4-cyanophenoxy)cyclohexyl]oxypiperidine-1-carboxylic acid is N#Cc1ccc(OC2CCC(OC3CCN(C(=O)O)CC3)CC2)cc1.
What is the InChIKey of 4-[4-(4-cyanophenoxy)cyclohexyl]oxypiperidine-1-carboxylic acid?
The InChIKey is WQKAKDIGKIOUDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4/c20-13-14-1-3-15(4-2-14)24-16-5-7-17(8-6-16)25-18-9-11-21(12-10-18)19(22)23/h1-4,16-18H,5-12H2,(H,22,23).
What are the key properties of 4-[4-(4-cyanophenoxy)cyclohexyl]oxypiperidine-1-carboxylic acid?
4-[4-(4-cyanophenoxy)cyclohexyl]oxypiperidine-1-carboxylic acid has a molecular weight of 344.41 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-cyanophenoxy)cyclohexyl]oxypiperidine-1-carboxylic acid is sourced from PubChem (CID 71224929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).