2-[(3R)-1-[2-[7-(4-methylcyclohexyl)oxy-8-(trifluoromethyl)naphthalen-2-yl]ethyl]piperidin-3-yl]acetic acid

C27H34F3NO3 — CID 90027830

IUPAC2-[(3R)-1-[2-[7-(4-methylcyclohexyl)oxy-8-(trifluoromethyl)naphthalen-2-yl]ethyl]piperidin-3-yl]acetic acid
SMILESCC1CCC(Oc2ccc3ccc(CCN4CCC[C@H](CC(=O)O)C4)cc3c2C(F)(F)F)CC1
InChIInChI=1S/C27H34F3NO3/c1-18-4-9-22(10-5-18)34-24-11-8-21-7-6-19(15-23(21)26(24)27(28,29)30)12-14-31-13-2-3-20(17-31)16-25(32)33/h6-8,11,15,18,20,22H,2-5,9-10,12-14,16-17H2,1H3,(H,32,33)/t18?,20-,22?/m1/s1
InChIKeyOVLLRNDZOSMSFQ-AATLZSDMSA-N
MW477.57 g/mol
LogP6.55
Rot. Bonds7

About 2-[(3R)-1-[2-[7-(4-methylcyclohexyl)oxy-8-(trifluoromethyl)naphthalen-2-yl]ethyl]piperidin-3-yl]acetic acid

2-[(3R)-1-[2-[7-(4-methylcyclohexyl)oxy-8-(trifluoromethyl)naphthalen-2-yl]ethyl]piperidin-3-yl]acetic acid (PubChem CID 90027830) has the molecular formula C27H34F3NO3 and a molecular weight of 477.57 g/mol. Its IUPAC name is 2-[(3R)-1-[2-[7-(4-methylcyclohexyl)oxy-8-(trifluoromethyl)naphthalen-2-yl]ethyl]piperidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[(3R)-1-[2-[7-(4-methylcyclohexyl)oxy-8-(trifluoromethyl)naphthalen-2-yl]ethyl]piperidin-3-yl]acetic acid
PubChem CID90027830
Molecular FormulaC27H34F3NO3
Molecular Weight477.57 g/mol
Exact Mass477.25
IUPAC Name2-[(3R)-1-[2-[7-(4-methylcyclohexyl)oxy-8-(trifluoromethyl)naphthalen-2-yl]ethyl]piperidin-3-yl]acetic acid
SMILESCC1CCC(Oc2ccc3ccc(CCN4CCC[C@H](CC(=O)O)C4)cc3c2C(F)(F)F)CC1
InChIInChI=1S/C27H34F3NO3/c1-18-4-9-22(10-5-18)34-24-11-8-21-7-6-19(15-23(21)26(24)27(28,29)30)12-14-31-13-2-3-20(17-31)16-25(32)33/h6-8,11,15,18,20,22H,2-5,9-10,12-14,16-17H2,1H3,(H,32,33)/t18?,20-,22?/m1/s1
InChIKeyOVLLRNDZOSMSFQ-AATLZSDMSA-N
XLogP6.55
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.57
LogP ≤ 56.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(3R)-1-[2-[7-(4-methylcyclohexyl)oxy-8-(trifluoromethyl)naphthalen-2-yl]ethyl]piperidin-3-yl]acetic acid with MolForge

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Related Compounds

2-[(3R)-1-[[8-(trifluoromethyl)-7-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-2-yl]methyl]piperidin-3-yl]acetic acid
CID 90028254
2-[4-[2-[7-(4-methylcyclohexyl)oxy-8-(trifluoromethyl)naphthalen-2-yl]ethyl]cyclohexyl]acetic acid
CID 152906420
2-[(3R)-1-[[6-(4-ethylcyclohexyl)oxy-5-(trifluoromethyl)naphthalen-2-yl]methyl]piperidin-3-yl]acetic acid
CID 73051352
8-[2-[7-(4-methylcyclohexyl)oxy-8-(trifluoromethyl)naphthalen-2-yl]ethyl]-8-azabicyclo[3.2.1]octane-3-carboxylic acid
CID 90027359
2-[(3S)-1-[[5-(trifluoromethyl)-6-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-2-yl]methyl]pyrrolidin-3-yl]acetic acid
CID 73051049
7-(2-bromoethyl)-2-(4-methylcyclohexyl)oxy-1-(trifluoromethyl)naphthalene
CID 90027600
2-[(3R)-1-[[5-(trifluoromethyl)-6-[4-(trifluoromethyl)cyclohexyl]oxyquinolin-2-yl]methyl]piperidin-3-yl]acetic acid
CID 73051828
2-[(3R)-3-[3-[7-(4-methylcyclohexyl)oxy-8-(trifluoromethyl)naphthalen-2-yl]propyl]piperidin-3-yl]acetic acid
CID 90027349
2-[1-[1-[6-(4-ethylcyclohexyl)oxy-5-(trifluoromethyl)naphthalen-2-yl]propyl]piperidin-3-yl]acetic acid
CID 123688604
ethyl 2-[(3R)-1-[[7-(4-methylcyclohexyl)oxy-8-(trifluoromethyl)naphthalen-1-yl]methyl]piperidin-3-yl]acetate
CID 90065329
2,2-dimethyl-3-[3-[7-(4-methylcyclohexyl)oxy-8-(trifluoromethyl)naphthalen-2-yl]propylamino]cyclobutane-1-carboxylic acid
CID 90027905
2,2-dimethyl-3-[[7-(4-methylcyclohexyl)oxy-8-(trifluoromethyl)naphthalen-2-yl]methylamino]cyclobutane-1-carboxylic acid
CID 73294145

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-1-[2-[7-(4-methylcyclohexyl)oxy-8-(trifluoromethyl)naphthalen-2-yl]ethyl]piperidin-3-yl]acetic acid?
The IUPAC name of 2-[(3R)-1-[2-[7-(4-methylcyclohexyl)oxy-8-(trifluoromethyl)naphthalen-2-yl]ethyl]piperidin-3-yl]acetic acid (CID 90027830) is 2-[(3R)-1-[2-[7-(4-methylcyclohexyl)oxy-8-(trifluoromethyl)naphthalen-2-yl]ethyl]piperidin-3-yl]acetic acid.
What is the SMILES notation for 2-[(3R)-1-[2-[7-(4-methylcyclohexyl)oxy-8-(trifluoromethyl)naphthalen-2-yl]ethyl]piperidin-3-yl]acetic acid?
The canonical SMILES for 2-[(3R)-1-[2-[7-(4-methylcyclohexyl)oxy-8-(trifluoromethyl)naphthalen-2-yl]ethyl]piperidin-3-yl]acetic acid is CC1CCC(Oc2ccc3ccc(CCN4CCC[C@H](CC(=O)O)C4)cc3c2C(F)(F)F)CC1.
What is the InChIKey of 2-[(3R)-1-[2-[7-(4-methylcyclohexyl)oxy-8-(trifluoromethyl)naphthalen-2-yl]ethyl]piperidin-3-yl]acetic acid?
The InChIKey is OVLLRNDZOSMSFQ-AATLZSDMSA-N. The full InChI is InChI=1S/C27H34F3NO3/c1-18-4-9-22(10-5-18)34-24-11-8-21-7-6-19(15-23(21)26(24)27(28,29)30)12-14-31-13-2-3-20(17-31)16-25(32)33/h6-8,11,15,18,20,22H,2-5,9-10,12-14,16-17H2,1H3,(H,32,33)/t18?,20-,22?/m1/s1.
What are the key properties of 2-[(3R)-1-[2-[7-(4-methylcyclohexyl)oxy-8-(trifluoromethyl)naphthalen-2-yl]ethyl]piperidin-3-yl]acetic acid?
2-[(3R)-1-[2-[7-(4-methylcyclohexyl)oxy-8-(trifluoromethyl)naphthalen-2-yl]ethyl]piperidin-3-yl]acetic acid has a molecular weight of 477.57 g/mol, XLogP of 6.55, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-1-[2-[7-(4-methylcyclohexyl)oxy-8-(trifluoromethyl)naphthalen-2-yl]ethyl]piperidin-3-yl]acetic acid is sourced from PubChem (CID 90027830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).