2-[(3S)-1-[5-(cyclohexylcarbamoyl)-6-(cyclohexylmethoxy)-2-pyridinyl]piperidin-3-yl]acetic acid

C26H39N3O4 — CID 162655681

IUPAC2-[(3S)-1-[5-(cyclohexylcarbamoyl)-6-(cyclohexylmethoxy)-2-pyridinyl]piperidin-3-yl]acetic acid
SMILESO=C(O)C[C@@H]1CCCN(c2ccc(C(=O)NC3CCCCC3)c(OCC3CCCCC3)n2)C1
InChIInChI=1S/C26H39N3O4/c30-24(31)16-20-10-7-15-29(17-20)23-14-13-22(25(32)27-21-11-5-2-6-12-21)26(28-23)33-18-19-8-3-1-4-9-19/h13-14,19-21H,1-12,15-18H2,(H,27,32)(H,30,31)/t20-/m0/s1
InChIKeyHPXWECDTINZFEY-FQEVSTJZSA-N
MW457.62 g/mol
LogP4.79
Rot. Bonds8

About 2-[(3S)-1-[5-(cyclohexylcarbamoyl)-6-(cyclohexylmethoxy)-2-pyridinyl]piperidin-3-yl]acetic acid

2-[(3S)-1-[5-(cyclohexylcarbamoyl)-6-(cyclohexylmethoxy)-2-pyridinyl]piperidin-3-yl]acetic acid (PubChem CID 162655681) has the molecular formula C26H39N3O4 and a molecular weight of 457.62 g/mol. Its IUPAC name is 2-[(3S)-1-[5-(cyclohexylcarbamoyl)-6-(cyclohexylmethoxy)-2-pyridinyl]piperidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[(3S)-1-[5-(cyclohexylcarbamoyl)-6-(cyclohexylmethoxy)-2-pyridinyl]piperidin-3-yl]acetic acid
PubChem CID162655681
Molecular FormulaC26H39N3O4
Molecular Weight457.62 g/mol
Exact Mass457.29
IUPAC Name2-[(3S)-1-[5-(cyclohexylcarbamoyl)-6-(cyclohexylmethoxy)-2-pyridinyl]piperidin-3-yl]acetic acid
SMILESO=C(O)C[C@@H]1CCCN(c2ccc(C(=O)NC3CCCCC3)c(OCC3CCCCC3)n2)C1
InChIInChI=1S/C26H39N3O4/c30-24(31)16-20-10-7-15-29(17-20)23-14-13-22(25(32)27-21-11-5-2-6-12-21)26(28-23)33-18-19-8-3-1-4-9-19/h13-14,19-21H,1-12,15-18H2,(H,27,32)(H,30,31)/t20-/m0/s1
InChIKeyHPXWECDTINZFEY-FQEVSTJZSA-N
XLogP4.79
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.62
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(3S)-1-[5-(cyclohexylcarbamoyl)-6-(cyclohexylmethoxy)-2-pyridinyl]piperidin-3-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(3S)-1-[5-(cyclohexylcarbamoyl)-6-(3-methylbutoxy)-2-pyridinyl]piperidin-3-yl]acetic acid
CID 24945925
2-[(3S)-1-[5-(cyclohexylcarbamoyl)-6-propoxy-2-pyridinyl]piperidin-3-yl]acetic acid
CID 59830693
(R)-3-Acryloylamino-6'-(4-phenoxy-phenoxy)-3,4,5,6-tetrahydro-2H-[1,2']bipyridinyl-5'-carboxylic acid amide
CID 118039156
N-(5-hydroxy-2-adamantyl)-6-morpholin-4-yl-2-propoxypyridine-3-carboxamide
CID 71449569
(1R,5S)-3-[5-[(5-hydroxy-2-adamantyl)carbamoyl]-6-(3-methylbutoxy)-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
CID 162403911
(1S,5R)-3-[5-[1-(5-hydroxy-2-adamantyl)ethylcarbamoyl]-6-(3-methylbutoxy)-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
CID 162649456
(1R,5S)-3-[5-[1-[5-(difluoromethoxy)-2-adamantyl]ethylcarbamoyl]-6-(3-methylbutoxy)-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
CID 162650039
2-[(3S)-1-[5-[(5-hydroxy-2-adamantyl)carbamoyl]-6-[(2-methylphenyl)methoxy]-2-pyridinyl]piperidin-3-yl]acetic acid
CID 162652731
(1S,5R)-3-[5-[(5-methoxy-2-adamantyl)carbamoyl]-6-(3-methylbutoxy)-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
CID 162671285
3-(Acryloylamino-methyl)-6'-(4-phenoxy-phenoxy)-3,4,5,6-tetrahydro-2H-[1,2']bipyridinyl-5'-carboxylic acid amide
CID 118039033
6-((S)-3-Acryloylamino-pyrrolidin-1-yl)-2-[4-(morpholine-4-carbonyl)-phenoxy]-nicotinamide
CID 118043278
2-[(3S)-1-[6-[(2-chlorophenyl)methoxy]-5-(cyclohexylcarbamoyl)-2-pyridinyl]piperidin-3-yl]acetic acid
CID 162643644

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-1-[5-(cyclohexylcarbamoyl)-6-(cyclohexylmethoxy)-2-pyridinyl]piperidin-3-yl]acetic acid?
The IUPAC name of 2-[(3S)-1-[5-(cyclohexylcarbamoyl)-6-(cyclohexylmethoxy)-2-pyridinyl]piperidin-3-yl]acetic acid (CID 162655681) is 2-[(3S)-1-[5-(cyclohexylcarbamoyl)-6-(cyclohexylmethoxy)-2-pyridinyl]piperidin-3-yl]acetic acid.
What is the SMILES notation for 2-[(3S)-1-[5-(cyclohexylcarbamoyl)-6-(cyclohexylmethoxy)-2-pyridinyl]piperidin-3-yl]acetic acid?
The canonical SMILES for 2-[(3S)-1-[5-(cyclohexylcarbamoyl)-6-(cyclohexylmethoxy)-2-pyridinyl]piperidin-3-yl]acetic acid is O=C(O)C[C@@H]1CCCN(c2ccc(C(=O)NC3CCCCC3)c(OCC3CCCCC3)n2)C1.
What is the InChIKey of 2-[(3S)-1-[5-(cyclohexylcarbamoyl)-6-(cyclohexylmethoxy)-2-pyridinyl]piperidin-3-yl]acetic acid?
The InChIKey is HPXWECDTINZFEY-FQEVSTJZSA-N. The full InChI is InChI=1S/C26H39N3O4/c30-24(31)16-20-10-7-15-29(17-20)23-14-13-22(25(32)27-21-11-5-2-6-12-21)26(28-23)33-18-19-8-3-1-4-9-19/h13-14,19-21H,1-12,15-18H2,(H,27,32)(H,30,31)/t20-/m0/s1.
What are the key properties of 2-[(3S)-1-[5-(cyclohexylcarbamoyl)-6-(cyclohexylmethoxy)-2-pyridinyl]piperidin-3-yl]acetic acid?
2-[(3S)-1-[5-(cyclohexylcarbamoyl)-6-(cyclohexylmethoxy)-2-pyridinyl]piperidin-3-yl]acetic acid has a molecular weight of 457.62 g/mol, XLogP of 4.79, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-1-[5-(cyclohexylcarbamoyl)-6-(cyclohexylmethoxy)-2-pyridinyl]piperidin-3-yl]acetic acid is sourced from PubChem (CID 162655681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).