1-[[4-[5-[1-cyclohexyl-5-(oxan-4-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]piperidine-4-carboxylic acid

C29H37N5O4 — CID 66795848

IUPAC1-[[4-[5-[1-cyclohexyl-5-(oxan-4-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(Cc2ccc(-c3noc(-c4cnn(C5CCCCC5)c4C4CCOCC4)n3)cc2)CC1
InChIInChI=1S/C29H37N5O4/c35-29(36)23-10-14-33(15-11-23)19-20-6-8-22(9-7-20)27-31-28(38-32-27)25-18-30-34(24-4-2-1-3-5-24)26(25)21-12-16-37-17-13-21/h6-9,18,21,23-24H,1-5,10-17,19H2,(H,35,36)
InChIKeyZLQCUXLKGGXMTF-UHFFFAOYSA-N
MW519.65 g/mol
LogP5.30
Rot. Bonds7

About 1-[[4-[5-[1-cyclohexyl-5-(oxan-4-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]piperidine-4-carboxylic acid

1-[[4-[5-[1-cyclohexyl-5-(oxan-4-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]piperidine-4-carboxylic acid (PubChem CID 66795848) has the molecular formula C29H37N5O4 and a molecular weight of 519.65 g/mol. Its IUPAC name is 1-[[4-[5-[1-cyclohexyl-5-(oxan-4-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[[4-[5-[1-cyclohexyl-5-(oxan-4-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]piperidine-4-carboxylic acid
PubChem CID66795848
Molecular FormulaC29H37N5O4
Molecular Weight519.65 g/mol
Exact Mass519.28
IUPAC Name1-[[4-[5-[1-cyclohexyl-5-(oxan-4-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(Cc2ccc(-c3noc(-c4cnn(C5CCCCC5)c4C4CCOCC4)n3)cc2)CC1
InChIInChI=1S/C29H37N5O4/c35-29(36)23-10-14-33(15-11-23)19-20-6-8-22(9-7-20)27-31-28(38-32-27)25-18-30-34(24-4-2-1-3-5-24)26(25)21-12-16-37-17-13-21/h6-9,18,21,23-24H,1-5,10-17,19H2,(H,35,36)
InChIKeyZLQCUXLKGGXMTF-UHFFFAOYSA-N
XLogP5.30
TPSA106.51 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.65
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-[[4-[5-[1-cyclohexyl-5-(oxan-4-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]piperidine-4-carboxylic 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

1-[2-[4-[5-[1-cyclohexyl-5-(trifluoromethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]-2-hydroxyethyl]piperidine-3-carboxylic acid
CID 66955583
2-[1-[2-hydroxy-2-[4-[5-[1-(oxan-4-yl)-5-(trifluoromethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]ethyl]piperidin-3-yl]acetic acid
CID 66955541
ethyl 1-[[4-[5-(2-fluoro-3-phenylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]piperidine-4-carboxylate
CID 91402291
1-[[4-[5-[4-(2-fluoroethoxy)-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]piperidine-4-carboxylic acid
CID 137385053
2-[1-cyclohexyl-4-[3-[4-(hydroxymethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrazol-5-yl]ethyl-methyloxidanium
CID 147854485
N-[[4-(azepan-1-ylmethyl)phenyl]methyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 38115999
N-[[4-(azepan-1-ylmethyl)phenyl]methyl]-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 38143303
1-[(4-methylphenyl)methyl]-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 53278515
3-[7-[5-[1-cyclohexyl-5-(methoxymethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-3,4-dihydro-1H-isoquinolin-2-yl]propanoic acid
CID 66795643
2-[4-[(4-carboxypiperidin-1-yl)methyl]phenyl]-1,3-thiazole-4-carboxylic acid
CID 39160284
N-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole-5-carboxamide
CID 50828013
1-[[4-[5-(4-cyclohexylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]piperidine-3,3-dicarboxylic acid;hydrochloride
CID 67545695

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[5-[1-cyclohexyl-5-(oxan-4-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[[4-[5-[1-cyclohexyl-5-(oxan-4-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]piperidine-4-carboxylic acid (CID 66795848) is 1-[[4-[5-[1-cyclohexyl-5-(oxan-4-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[[4-[5-[1-cyclohexyl-5-(oxan-4-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[[4-[5-[1-cyclohexyl-5-(oxan-4-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]piperidine-4-carboxylic acid is O=C(O)C1CCN(Cc2ccc(-c3noc(-c4cnn(C5CCCCC5)c4C4CCOCC4)n3)cc2)CC1.
What is the InChIKey of 1-[[4-[5-[1-cyclohexyl-5-(oxan-4-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]piperidine-4-carboxylic acid?
The InChIKey is ZLQCUXLKGGXMTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37N5O4/c35-29(36)23-10-14-33(15-11-23)19-20-6-8-22(9-7-20)27-31-28(38-32-27)25-18-30-34(24-4-2-1-3-5-24)26(25)21-12-16-37-17-13-21/h6-9,18,21,23-24H,1-5,10-17,19H2,(H,35,36).
What are the key properties of 1-[[4-[5-[1-cyclohexyl-5-(oxan-4-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]piperidine-4-carboxylic acid?
1-[[4-[5-[1-cyclohexyl-5-(oxan-4-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]piperidine-4-carboxylic acid has a molecular weight of 519.65 g/mol, XLogP of 5.30, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[5-[1-cyclohexyl-5-(oxan-4-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 66795848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).