1-[(3-methoxy-3-oxopropyl)carbamoyl]-4-methylpiperidine-4-carboxylic acid

C12H20N2O5 — CID 55177760

IUPAC1-[(3-methoxy-3-oxopropyl)carbamoyl]-4-methylpiperidine-4-carboxylic acid
SMILESCOC(=O)CCNC(=O)N1CCC(C)(C(=O)O)CC1
InChIInChI=1S/C12H20N2O5/c1-12(10(16)17)4-7-14(8-5-12)11(18)13-6-3-9(15)19-2/h3-8H2,1-2H3,(H,13,18)(H,16,17)
InChIKeyHWSDJHQLWIVDIC-UHFFFAOYSA-N
MW272.30 g/mol
LogP0.45
Rot. Bonds4

About 1-[(3-methoxy-3-oxopropyl)carbamoyl]-4-methylpiperidine-4-carboxylic acid

1-[(3-methoxy-3-oxopropyl)carbamoyl]-4-methylpiperidine-4-carboxylic acid (PubChem CID 55177760) has the molecular formula C12H20N2O5 and a molecular weight of 272.30 g/mol. Its IUPAC name is 1-[(3-methoxy-3-oxopropyl)carbamoyl]-4-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(3-methoxy-3-oxopropyl)carbamoyl]-4-methylpiperidine-4-carboxylic acid
PubChem CID55177760
Molecular FormulaC12H20N2O5
Molecular Weight272.30 g/mol
Exact Mass272.14
IUPAC Name1-[(3-methoxy-3-oxopropyl)carbamoyl]-4-methylpiperidine-4-carboxylic acid
SMILESCOC(=O)CCNC(=O)N1CCC(C)(C(=O)O)CC1
InChIInChI=1S/C12H20N2O5/c1-12(10(16)17)4-7-14(8-5-12)11(18)13-6-3-9(15)19-2/h3-8H2,1-2H3,(H,13,18)(H,16,17)
InChIKeyHWSDJHQLWIVDIC-UHFFFAOYSA-N
XLogP0.45
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-methoxy-3-oxopropyl)carbamoyl]-4-methylpiperidine-4-carboxylic acid?
The IUPAC name of 1-[(3-methoxy-3-oxopropyl)carbamoyl]-4-methylpiperidine-4-carboxylic acid (CID 55177760) is 1-[(3-methoxy-3-oxopropyl)carbamoyl]-4-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(3-methoxy-3-oxopropyl)carbamoyl]-4-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-[(3-methoxy-3-oxopropyl)carbamoyl]-4-methylpiperidine-4-carboxylic acid is COC(=O)CCNC(=O)N1CCC(C)(C(=O)O)CC1.
What is the InChIKey of 1-[(3-methoxy-3-oxopropyl)carbamoyl]-4-methylpiperidine-4-carboxylic acid?
The InChIKey is HWSDJHQLWIVDIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O5/c1-12(10(16)17)4-7-14(8-5-12)11(18)13-6-3-9(15)19-2/h3-8H2,1-2H3,(H,13,18)(H,16,17).
What are the key properties of 1-[(3-methoxy-3-oxopropyl)carbamoyl]-4-methylpiperidine-4-carboxylic acid?
1-[(3-methoxy-3-oxopropyl)carbamoyl]-4-methylpiperidine-4-carboxylic acid has a molecular weight of 272.30 g/mol, XLogP of 0.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methoxy-3-oxopropyl)carbamoyl]-4-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 55177760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).