1-[(2-methoxy-2-oxoethyl)-propylcarbamoyl]-4-methylpiperidine-4-carboxylic acid

C14H24N2O5 — CID 63124602

IUPAC1-[(2-methoxy-2-oxoethyl)-propylcarbamoyl]-4-methylpiperidine-4-carboxylic acid
SMILESCCCN(CC(=O)OC)C(=O)N1CCC(C)(C(=O)O)CC1
InChIInChI=1S/C14H24N2O5/c1-4-7-16(10-11(17)21-3)13(20)15-8-5-14(2,6-9-15)12(18)19/h4-10H2,1-3H3,(H,18,19)
InChIKeyKVVVVBNFTLKNFL-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.18
Rot. Bonds5

About 1-[(2-methoxy-2-oxoethyl)-propylcarbamoyl]-4-methylpiperidine-4-carboxylic acid

1-[(2-methoxy-2-oxoethyl)-propylcarbamoyl]-4-methylpiperidine-4-carboxylic acid (PubChem CID 63124602) has the molecular formula C14H24N2O5 and a molecular weight of 300.36 g/mol. Its IUPAC name is 1-[(2-methoxy-2-oxoethyl)-propylcarbamoyl]-4-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(2-methoxy-2-oxoethyl)-propylcarbamoyl]-4-methylpiperidine-4-carboxylic acid
PubChem CID63124602
Molecular FormulaC14H24N2O5
Molecular Weight300.36 g/mol
Exact Mass300.17
IUPAC Name1-[(2-methoxy-2-oxoethyl)-propylcarbamoyl]-4-methylpiperidine-4-carboxylic acid
SMILESCCCN(CC(=O)OC)C(=O)N1CCC(C)(C(=O)O)CC1
InChIInChI=1S/C14H24N2O5/c1-4-7-16(10-11(17)21-3)13(20)15-8-5-14(2,6-9-15)12(18)19/h4-10H2,1-3H3,(H,18,19)
InChIKeyKVVVVBNFTLKNFL-UHFFFAOYSA-N
XLogP1.18
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxy-2-oxoethyl)-propylcarbamoyl]-4-methylpiperidine-4-carboxylic acid?
The IUPAC name of 1-[(2-methoxy-2-oxoethyl)-propylcarbamoyl]-4-methylpiperidine-4-carboxylic acid (CID 63124602) is 1-[(2-methoxy-2-oxoethyl)-propylcarbamoyl]-4-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(2-methoxy-2-oxoethyl)-propylcarbamoyl]-4-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-[(2-methoxy-2-oxoethyl)-propylcarbamoyl]-4-methylpiperidine-4-carboxylic acid is CCCN(CC(=O)OC)C(=O)N1CCC(C)(C(=O)O)CC1.
What is the InChIKey of 1-[(2-methoxy-2-oxoethyl)-propylcarbamoyl]-4-methylpiperidine-4-carboxylic acid?
The InChIKey is KVVVVBNFTLKNFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O5/c1-4-7-16(10-11(17)21-3)13(20)15-8-5-14(2,6-9-15)12(18)19/h4-10H2,1-3H3,(H,18,19).
What are the key properties of 1-[(2-methoxy-2-oxoethyl)-propylcarbamoyl]-4-methylpiperidine-4-carboxylic acid?
1-[(2-methoxy-2-oxoethyl)-propylcarbamoyl]-4-methylpiperidine-4-carboxylic acid has a molecular weight of 300.36 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxy-2-oxoethyl)-propylcarbamoyl]-4-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 63124602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).