1-[(3-methoxy-2-propan-2-yloxyphenyl)methyl]piperidine-3-carboxylic acid

C17H25NO4 — CID 54848176

IUPAC1-[(3-methoxy-2-propan-2-yloxyphenyl)methyl]piperidine-3-carboxylic acid
SMILESCOc1cccc(CN2CCCC(C(=O)O)C2)c1OC(C)C
InChIInChI=1S/C17H25NO4/c1-12(2)22-16-13(6-4-8-15(16)21-3)10-18-9-5-7-14(11-18)17(19)20/h4,6,8,12,14H,5,7,9-11H2,1-3H3,(H,19,20)
InChIKeyBWJCMDRNGMWFAB-UHFFFAOYSA-N
MW307.39 g/mol
LogP2.78
Rot. Bonds6

About 1-[(3-methoxy-2-propan-2-yloxyphenyl)methyl]piperidine-3-carboxylic acid

1-[(3-methoxy-2-propan-2-yloxyphenyl)methyl]piperidine-3-carboxylic acid (PubChem CID 54848176) has the molecular formula C17H25NO4 and a molecular weight of 307.39 g/mol. Its IUPAC name is 1-[(3-methoxy-2-propan-2-yloxyphenyl)methyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(3-methoxy-2-propan-2-yloxyphenyl)methyl]piperidine-3-carboxylic acid
PubChem CID54848176
Molecular FormulaC17H25NO4
Molecular Weight307.39 g/mol
Exact Mass307.18
IUPAC Name1-[(3-methoxy-2-propan-2-yloxyphenyl)methyl]piperidine-3-carboxylic acid
SMILESCOc1cccc(CN2CCCC(C(=O)O)C2)c1OC(C)C
InChIInChI=1S/C17H25NO4/c1-12(2)22-16-13(6-4-8-15(16)21-3)10-18-9-5-7-14(11-18)17(19)20/h4,6,8,12,14H,5,7,9-11H2,1-3H3,(H,19,20)
InChIKeyBWJCMDRNGMWFAB-UHFFFAOYSA-N
XLogP2.78
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(3-methoxy-2-propan-2-yloxyphenyl)methyl]piperidine-3-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-propan-2-yloxyphenyl)methyl]piperidine-3-carboxylic acid
CID 54848340
1-[(2,3-dimethoxyphenyl)methyl]piperidine-3-carboxamide
CID 23884997
1-[(2-propan-2-yloxyphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 119904478
2-[[1-[(3-methoxy-2-propan-2-yloxyphenyl)methyl]azepan-4-yl]-methylamino]acetic acid
CID 122043452
1-[[2-(difluoromethoxy)phenyl]methyl]piperidine-3-carboxylic acid
CID 43440909
1-[(3-methoxynaphthalen-2-yl)methyl]piperidine-3-carboxylic acid
CID 122040667
1-[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]ethanone
CID 63845803
1-[(5-ethyl-2-methoxyphenyl)methyl]piperidine-3-carboxylic acid
CID 3571915
1-[(7-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]piperidine-3-carboxylic acid
CID 91779862
N-[(2-methoxyphenyl)methyl]-1-(naphthalen-1-ylmethyl)piperidine-3-carboxamide
CID 43921128
1-[(2-ethyl-4,6-dimethoxyphenyl)methyl]piperidine-3-carboxylic acid
CID 166303450
(3S)-1-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-methoxypiperidine
CID 97140770

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methoxy-2-propan-2-yloxyphenyl)methyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[(3-methoxy-2-propan-2-yloxyphenyl)methyl]piperidine-3-carboxylic acid (CID 54848176) is 1-[(3-methoxy-2-propan-2-yloxyphenyl)methyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(3-methoxy-2-propan-2-yloxyphenyl)methyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[(3-methoxy-2-propan-2-yloxyphenyl)methyl]piperidine-3-carboxylic acid is COc1cccc(CN2CCCC(C(=O)O)C2)c1OC(C)C.
What is the InChIKey of 1-[(3-methoxy-2-propan-2-yloxyphenyl)methyl]piperidine-3-carboxylic acid?
The InChIKey is BWJCMDRNGMWFAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO4/c1-12(2)22-16-13(6-4-8-15(16)21-3)10-18-9-5-7-14(11-18)17(19)20/h4,6,8,12,14H,5,7,9-11H2,1-3H3,(H,19,20).
What are the key properties of 1-[(3-methoxy-2-propan-2-yloxyphenyl)methyl]piperidine-3-carboxylic acid?
1-[(3-methoxy-2-propan-2-yloxyphenyl)methyl]piperidine-3-carboxylic acid has a molecular weight of 307.39 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methoxy-2-propan-2-yloxyphenyl)methyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 54848176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).