2-methoxy-2-[4-(1-pyridin-4-ylpiperidin-4-yl)cyclohexyl]acetic acid

C19H28N2O3 — CID 19068097

IUPAC2-methoxy-2-[4-(1-pyridin-4-ylpiperidin-4-yl)cyclohexyl]acetic acid
SMILESCOC(C(=O)O)C1CCC(C2CCN(c3ccncc3)CC2)CC1
InChIInChI=1S/C19H28N2O3/c1-24-18(19(22)23)16-4-2-14(3-5-16)15-8-12-21(13-9-15)17-6-10-20-11-7-17/h6-7,10-11,14-16,18H,2-5,8-9,12-13H2,1H3,(H,22,23)
InChIKeyUHOBPNMHJQKYLL-UHFFFAOYSA-N
MW332.44 g/mol
LogP3.20
Rot. Bonds5

About 2-methoxy-2-[4-(1-pyridin-4-ylpiperidin-4-yl)cyclohexyl]acetic acid

2-methoxy-2-[4-(1-pyridin-4-ylpiperidin-4-yl)cyclohexyl]acetic acid (PubChem CID 19068097) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is 2-methoxy-2-[4-(1-pyridin-4-ylpiperidin-4-yl)cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-methoxy-2-[4-(1-pyridin-4-ylpiperidin-4-yl)cyclohexyl]acetic acid
PubChem CID19068097
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name2-methoxy-2-[4-(1-pyridin-4-ylpiperidin-4-yl)cyclohexyl]acetic acid
SMILESCOC(C(=O)O)C1CCC(C2CCN(c3ccncc3)CC2)CC1
InChIInChI=1S/C19H28N2O3/c1-24-18(19(22)23)16-4-2-14(3-5-16)15-8-12-21(13-9-15)17-6-10-20-11-7-17/h6-7,10-11,14-16,18H,2-5,8-9,12-13H2,1H3,(H,22,23)
InChIKeyUHOBPNMHJQKYLL-UHFFFAOYSA-N
XLogP3.20
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-Pyridin-4-yl-3-aza-spiro[5.5]undec-9-yloxy)-acetic acid
CID 44459649
(3R,3aR,4S,5R,6S,7aS)-5-ethyl-7a-hydroxy-3,6-dimethyl-4-[(E)-2-(5-pyridin-3-yl-2-pyridinyl)ethenyl]-3,3a,4,5,6,7-hexahydro-2-benzofuran-1-one
CID 70685282
2-[[4-[[(2-Fluoro-4-pyridinyl)-phenylcarbamoyl]oxymethyl]cyclohexyl]methoxy]acetic acid
CID 44233775
3-(2-(4-(Pyridin-4-yl)piperazin-1-yl)ethyl)-2-oxaspiro[4.5]decan-1-one
CID 86272660
2-[1-Hydroxy-4-[2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]acetic acid;2,2,2-trifluoroacetic acid
CID 70190842
2-[4-[2-(4-Pyridin-4-ylpiperazin-1-yl)ethyl]-1-(2,2,2-trifluoroacetyl)oxycyclohexyl]acetic acid
CID 70190843
[2-[1-Hydroxy-4-[2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]acetyl] 2,2,2-trifluoroacetate
CID 88203086
(2S)-2-[5-(1,1-difluoropentyl)-2-[4-(4,4-dimethylpiperidin-1-yl)-6-methyl-3-pyridinyl]-2H-pyridin-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
CID 135207264
2-[3-(1,1-difluoropentyl)-6-[4-(4,4-dimethylpiperidin-1-yl)-6-methyl-3-pyridinyl]-4H-pyridin-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
CID 135207265
Ethyl 2-hydroxy-3-phenyl-3-pyridin-2-ylpropanoate
CID 134840705
ethyl (E,2R,3R)-2-hydroxy-3-[(1R)-1-phenylethyl]-5-(2-pyridin-2-ylphenyl)pent-4-enoate
CID 139189364
(2R,5S)-5-[1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]oxolane-2-carboxylic acid
CID 132400805

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-[4-(1-pyridin-4-ylpiperidin-4-yl)cyclohexyl]acetic acid?
The IUPAC name of 2-methoxy-2-[4-(1-pyridin-4-ylpiperidin-4-yl)cyclohexyl]acetic acid (CID 19068097) is 2-methoxy-2-[4-(1-pyridin-4-ylpiperidin-4-yl)cyclohexyl]acetic acid.
What is the SMILES notation for 2-methoxy-2-[4-(1-pyridin-4-ylpiperidin-4-yl)cyclohexyl]acetic acid?
The canonical SMILES for 2-methoxy-2-[4-(1-pyridin-4-ylpiperidin-4-yl)cyclohexyl]acetic acid is COC(C(=O)O)C1CCC(C2CCN(c3ccncc3)CC2)CC1.
What is the InChIKey of 2-methoxy-2-[4-(1-pyridin-4-ylpiperidin-4-yl)cyclohexyl]acetic acid?
The InChIKey is UHOBPNMHJQKYLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-24-18(19(22)23)16-4-2-14(3-5-16)15-8-12-21(13-9-15)17-6-10-20-11-7-17/h6-7,10-11,14-16,18H,2-5,8-9,12-13H2,1H3,(H,22,23).
What are the key properties of 2-methoxy-2-[4-(1-pyridin-4-ylpiperidin-4-yl)cyclohexyl]acetic acid?
2-methoxy-2-[4-(1-pyridin-4-ylpiperidin-4-yl)cyclohexyl]acetic acid has a molecular weight of 332.44 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-[4-(1-pyridin-4-ylpiperidin-4-yl)cyclohexyl]acetic acid is sourced from PubChem (CID 19068097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).