1-[cyclopropyl(2-methoxyethyl)carbamoyl]-4-methylpiperidine-4-carboxylic acid

C14H24N2O4 — CID 63124086

IUPAC1-[cyclopropyl(2-methoxyethyl)carbamoyl]-4-methylpiperidine-4-carboxylic acid
SMILESCOCCN(C(=O)N1CCC(C)(C(=O)O)CC1)C1CC1
InChIInChI=1S/C14H24N2O4/c1-14(12(17)18)5-7-15(8-6-14)13(19)16(9-10-20-2)11-3-4-11/h11H,3-10H2,1-2H3,(H,17,18)
InChIKeyFROGHAVESDJBLN-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.40
Rot. Bonds5

About 1-[cyclopropyl(2-methoxyethyl)carbamoyl]-4-methylpiperidine-4-carboxylic acid

1-[cyclopropyl(2-methoxyethyl)carbamoyl]-4-methylpiperidine-4-carboxylic acid (PubChem CID 63124086) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-[cyclopropyl(2-methoxyethyl)carbamoyl]-4-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[cyclopropyl(2-methoxyethyl)carbamoyl]-4-methylpiperidine-4-carboxylic acid
PubChem CID63124086
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name1-[cyclopropyl(2-methoxyethyl)carbamoyl]-4-methylpiperidine-4-carboxylic acid
SMILESCOCCN(C(=O)N1CCC(C)(C(=O)O)CC1)C1CC1
InChIInChI=1S/C14H24N2O4/c1-14(12(17)18)5-7-15(8-6-14)13(19)16(9-10-20-2)11-3-4-11/h11H,3-10H2,1-2H3,(H,17,18)
InChIKeyFROGHAVESDJBLN-UHFFFAOYSA-N
XLogP1.40
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[cyclopropyl(2-methoxyethyl)carbamoyl]-4-methylpiperidine-4-carboxylic acid?
The IUPAC name of 1-[cyclopropyl(2-methoxyethyl)carbamoyl]-4-methylpiperidine-4-carboxylic acid (CID 63124086) is 1-[cyclopropyl(2-methoxyethyl)carbamoyl]-4-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-[cyclopropyl(2-methoxyethyl)carbamoyl]-4-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-[cyclopropyl(2-methoxyethyl)carbamoyl]-4-methylpiperidine-4-carboxylic acid is COCCN(C(=O)N1CCC(C)(C(=O)O)CC1)C1CC1.
What is the InChIKey of 1-[cyclopropyl(2-methoxyethyl)carbamoyl]-4-methylpiperidine-4-carboxylic acid?
The InChIKey is FROGHAVESDJBLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-14(12(17)18)5-7-15(8-6-14)13(19)16(9-10-20-2)11-3-4-11/h11H,3-10H2,1-2H3,(H,17,18).
What are the key properties of 1-[cyclopropyl(2-methoxyethyl)carbamoyl]-4-methylpiperidine-4-carboxylic acid?
1-[cyclopropyl(2-methoxyethyl)carbamoyl]-4-methylpiperidine-4-carboxylic acid has a molecular weight of 284.36 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclopropyl(2-methoxyethyl)carbamoyl]-4-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 63124086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).