1-[(2-cyclopentyloxyphenyl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid

C20H28N2O4 — CID 122122322

IUPAC1-[(2-cyclopentyloxyphenyl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
SMILESCC1CC(C(=O)O)CN(C(=O)NCc2ccccc2OC2CCCC2)C1
InChIInChI=1S/C20H28N2O4/c1-14-10-16(19(23)24)13-22(12-14)20(25)21-11-15-6-2-5-9-18(15)26-17-7-3-4-8-17/h2,5-6,9,14,16-17H,3-4,7-8,10-13H2,1H3,(H,21,25)(H,23,24)
InChIKeyIZORJBZJNPQUAL-UHFFFAOYSA-N
MW360.45 g/mol
LogP3.26
Rot. Bonds5

About 1-[(2-cyclopentyloxyphenyl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid

1-[(2-cyclopentyloxyphenyl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid (PubChem CID 122122322) has the molecular formula C20H28N2O4 and a molecular weight of 360.45 g/mol. Its IUPAC name is 1-[(2-cyclopentyloxyphenyl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(2-cyclopentyloxyphenyl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
PubChem CID122122322
Molecular FormulaC20H28N2O4
Molecular Weight360.45 g/mol
Exact Mass360.20
IUPAC Name1-[(2-cyclopentyloxyphenyl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
SMILESCC1CC(C(=O)O)CN(C(=O)NCc2ccccc2OC2CCCC2)C1
InChIInChI=1S/C20H28N2O4/c1-14-10-16(19(23)24)13-22(12-14)20(25)21-11-15-6-2-5-9-18(15)26-17-7-3-4-8-17/h2,5-6,9,14,16-17H,3-4,7-8,10-13H2,1H3,(H,21,25)(H,23,24)
InChIKeyIZORJBZJNPQUAL-UHFFFAOYSA-N
XLogP3.26
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-methoxyphenyl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122121860
1-N-[(2-cyclopentyloxyphenyl)methyl]pyrrolidine-1,3-dicarboxamide
CID 56797916
N-[(2-cyclopentyloxyphenyl)methyl]-4-phenylpiperazine-1-carboxamide
CID 52710137
1-[(2-cyclobutyloxyphenyl)methylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122002784
1-[(2,5-dimethoxyphenyl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122122072
1-[(2,4-dimethoxyphenyl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122122341
5-methyl-1-[(2,4,5-trimethoxyphenyl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 122121950
(3R)-N-[(2-cyclobutyloxyphenyl)methyl]-3-(2,5-dihydropyrrol-1-yl)pyrrolidine-1-carboxamide
CID 98203831
N-[[2-(2-hydroxyethoxy)phenyl]methyl]-3,5-dimethylpiperidine-1-carboxamide
CID 111459230
(3aR,7aS)-N-[(2-cyclobutyloxyphenyl)methyl]-6-methyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine-1-carboxamide
CID 124885282
5-methyl-1-[[2-(1-methylpyrazol-4-yl)phenyl]methylcarbamoyl]piperidine-3-carboxylic acid
CID 122123294
5-methyl-1-(2-phenylethylcarbamoyl)piperidine-3-carboxylic acid
CID 122121841

Frequently Asked Questions

What is the IUPAC name of 1-[(2-cyclopentyloxyphenyl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-[(2-cyclopentyloxyphenyl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid (CID 122122322) is 1-[(2-cyclopentyloxyphenyl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(2-cyclopentyloxyphenyl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-[(2-cyclopentyloxyphenyl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid is CC1CC(C(=O)O)CN(C(=O)NCc2ccccc2OC2CCCC2)C1.
What is the InChIKey of 1-[(2-cyclopentyloxyphenyl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid?
The InChIKey is IZORJBZJNPQUAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O4/c1-14-10-16(19(23)24)13-22(12-14)20(25)21-11-15-6-2-5-9-18(15)26-17-7-3-4-8-17/h2,5-6,9,14,16-17H,3-4,7-8,10-13H2,1H3,(H,21,25)(H,23,24).
What are the key properties of 1-[(2-cyclopentyloxyphenyl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid?
1-[(2-cyclopentyloxyphenyl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid has a molecular weight of 360.45 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-cyclopentyloxyphenyl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 122122322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).