6-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]-6-oxohexanoic acid

C14H25N3O4 — CID 43447313

IUPAC6-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]-6-oxohexanoic acid
SMILESCN1CCC(N(C)C(=O)NC(=O)CCCCC(=O)O)CC1
InChIInChI=1S/C14H25N3O4/c1-16-9-7-11(8-10-16)17(2)14(21)15-12(18)5-3-4-6-13(19)20/h11H,3-10H2,1-2H3,(H,19,20)(H,15,18,21)
InChIKeyWZPWOLMMRJIJON-UHFFFAOYSA-N
MW299.37 g/mol
LogP0.89
Rot. Bonds6

About 6-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]-6-oxohexanoic acid

6-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]-6-oxohexanoic acid (PubChem CID 43447313) has the molecular formula C14H25N3O4 and a molecular weight of 299.37 g/mol. Its IUPAC name is 6-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]-6-oxohexanoic acid.

Molecular Properties

Compound Name6-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]-6-oxohexanoic acid
PubChem CID43447313
Molecular FormulaC14H25N3O4
Molecular Weight299.37 g/mol
Exact Mass299.18
IUPAC Name6-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]-6-oxohexanoic acid
SMILESCN1CCC(N(C)C(=O)NC(=O)CCCCC(=O)O)CC1
InChIInChI=1S/C14H25N3O4/c1-16-9-7-11(8-10-16)17(2)14(21)15-12(18)5-3-4-6-13(19)20/h11H,3-10H2,1-2H3,(H,19,20)(H,15,18,21)
InChIKeyWZPWOLMMRJIJON-UHFFFAOYSA-N
XLogP0.89
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-[[methyl(oxolan-3-yl)carbamoyl]amino]-6-oxohexanoic acid
CID 82740104
5-[[(1,1-dioxothiolan-3-yl)-methylcarbamoyl]amino]-5-oxopentanoic acid
CID 43648968
5-[[methyl(oxolan-3-yl)carbamoyl]amino]-5-oxopentanoic acid
CID 82740289
6-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]carbamoyl]amino]-6-oxohexanoic acid
CID 79311151
3-[ethyl-[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]propanoic acid
CID 61191817
7-[[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]heptanoic acid
CID 62547378
5-[[cyclopropyl(2-methoxyethyl)carbamoyl]amino]-5-oxopentanoic acid
CID 61452865
6-[[methyl(propan-2-yl)carbamoyl]amino]-6-oxohexanoic acid
CID 43447310
3-chloro-N-[cyclohexyl(methyl)carbamoyl]propanamide
CID 43146223
5-[(1-methylpyrrolidin-3-yl)amino]-5-oxopentanoic acid
CID 61462313
5-[2-(dimethylamino)ethyl-(1-methylpiperidin-4-yl)amino]-5-oxopentanoic acid
CID 60950165
7-[[cycloheptyl(methyl)carbamoyl]amino]heptanoic acid
CID 61201091

Frequently Asked Questions

What is the IUPAC name of 6-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]-6-oxohexanoic acid?
The IUPAC name of 6-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]-6-oxohexanoic acid (CID 43447313) is 6-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]-6-oxohexanoic acid.
What is the SMILES notation for 6-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]-6-oxohexanoic acid?
The canonical SMILES for 6-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]-6-oxohexanoic acid is CN1CCC(N(C)C(=O)NC(=O)CCCCC(=O)O)CC1.
What is the InChIKey of 6-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]-6-oxohexanoic acid?
The InChIKey is WZPWOLMMRJIJON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O4/c1-16-9-7-11(8-10-16)17(2)14(21)15-12(18)5-3-4-6-13(19)20/h11H,3-10H2,1-2H3,(H,19,20)(H,15,18,21).
What are the key properties of 6-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]-6-oxohexanoic acid?
6-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]-6-oxohexanoic acid has a molecular weight of 299.37 g/mol, XLogP of 0.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]-6-oxohexanoic acid is sourced from PubChem (CID 43447313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).