1-[(3-ethoxy-2-phenoxycyclobutyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid

C20H28N2O5 — CID 122123524

IUPAC1-[(3-ethoxy-2-phenoxycyclobutyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
SMILESCCOC1CC(NC(=O)N2CC(C)CC(C(=O)O)C2)C1Oc1ccccc1
InChIInChI=1S/C20H28N2O5/c1-3-26-17-10-16(18(17)27-15-7-5-4-6-8-15)21-20(25)22-11-13(2)9-14(12-22)19(23)24/h4-8,13-14,16-18H,3,9-12H2,1-2H3,(H,21,25)(H,23,24)
InChIKeyXXCQUUMMJOABOU-UHFFFAOYSA-N
MW376.45 g/mol
LogP2.36
Rot. Bonds6

About 1-[(3-ethoxy-2-phenoxycyclobutyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid

1-[(3-ethoxy-2-phenoxycyclobutyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid (PubChem CID 122123524) has the molecular formula C20H28N2O5 and a molecular weight of 376.45 g/mol. Its IUPAC name is 1-[(3-ethoxy-2-phenoxycyclobutyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(3-ethoxy-2-phenoxycyclobutyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
PubChem CID122123524
Molecular FormulaC20H28N2O5
Molecular Weight376.45 g/mol
Exact Mass376.20
IUPAC Name1-[(3-ethoxy-2-phenoxycyclobutyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
SMILESCCOC1CC(NC(=O)N2CC(C)CC(C(=O)O)C2)C1Oc1ccccc1
InChIInChI=1S/C20H28N2O5/c1-3-26-17-10-16(18(17)27-15-7-5-4-6-8-15)21-20(25)22-11-13(2)9-14(12-22)19(23)24/h4-8,13-14,16-18H,3,9-12H2,1-2H3,(H,21,25)(H,23,24)
InChIKeyXXCQUUMMJOABOU-UHFFFAOYSA-N
XLogP2.36
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3-ethoxy-2-phenoxycyclobutyl)carbamoyl]piperidine-3-carboxylic acid
CID 122010748
5-methyl-1-(1-phenylpropylcarbamoyl)piperidine-3-carboxylic acid
CID 122122525
1-[[(1R,2S)-2-(2-chloro-6-fluorophenyl)cyclopropyl]carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122123712
1-[(2,6-diethylphenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122101857
1-[[(3S,4S)-4-methoxyoxolan-3-yl]carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122124143
1-[[2-(3-fluorophenyl)cyclopropyl]carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122123706
5-methyl-1-(2-phenylethylcarbamoyl)piperidine-3-carboxylic acid
CID 122121841
1-[(2,6-difluorophenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122101826
1-[[3-(2-chlorophenyl)cyclobutyl]carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122123979
5-methyl-1-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienylcarbamoyl)piperidine-3-carboxylic acid
CID 122123842
1-[(1-ethyl-5-oxopyrrolidin-3-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122124059
5-methyl-1-[(3-methylcyclobutyl)carbamoyl]piperidine-3-carboxylic acid
CID 122123028

Frequently Asked Questions

What is the IUPAC name of 1-[(3-ethoxy-2-phenoxycyclobutyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-[(3-ethoxy-2-phenoxycyclobutyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid (CID 122123524) is 1-[(3-ethoxy-2-phenoxycyclobutyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(3-ethoxy-2-phenoxycyclobutyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-[(3-ethoxy-2-phenoxycyclobutyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid is CCOC1CC(NC(=O)N2CC(C)CC(C(=O)O)C2)C1Oc1ccccc1.
What is the InChIKey of 1-[(3-ethoxy-2-phenoxycyclobutyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid?
The InChIKey is XXCQUUMMJOABOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O5/c1-3-26-17-10-16(18(17)27-15-7-5-4-6-8-15)21-20(25)22-11-13(2)9-14(12-22)19(23)24/h4-8,13-14,16-18H,3,9-12H2,1-2H3,(H,21,25)(H,23,24).
What are the key properties of 1-[(3-ethoxy-2-phenoxycyclobutyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid?
1-[(3-ethoxy-2-phenoxycyclobutyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid has a molecular weight of 376.45 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-ethoxy-2-phenoxycyclobutyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 122123524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).