5-[methyl-[2-[methyl-(1-methylpiperidin-4-yl)amino]ethyl]amino]-5-oxopentanoic acid

C15H29N3O3 — CID 60950966

IUPAC5-[methyl-[2-[methyl-(1-methylpiperidin-4-yl)amino]ethyl]amino]-5-oxopentanoic acid
SMILESCN1CCC(N(C)CCN(C)C(=O)CCCC(=O)O)CC1
InChIInChI=1S/C15H29N3O3/c1-16-9-7-13(8-10-16)17(2)11-12-18(3)14(19)5-4-6-15(20)21/h13H,4-12H2,1-3H3,(H,20,21)
InChIKeyIPDHSWYAQYAATN-UHFFFAOYSA-N
MW299.42 g/mol
LogP0.73
Rot. Bonds8

About 5-[methyl-[2-[methyl-(1-methylpiperidin-4-yl)amino]ethyl]amino]-5-oxopentanoic acid

5-[methyl-[2-[methyl-(1-methylpiperidin-4-yl)amino]ethyl]amino]-5-oxopentanoic acid (PubChem CID 60950966) has the molecular formula C15H29N3O3 and a molecular weight of 299.42 g/mol. Its IUPAC name is 5-[methyl-[2-[methyl-(1-methylpiperidin-4-yl)amino]ethyl]amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[methyl-[2-[methyl-(1-methylpiperidin-4-yl)amino]ethyl]amino]-5-oxopentanoic acid
PubChem CID60950966
Molecular FormulaC15H29N3O3
Molecular Weight299.42 g/mol
Exact Mass299.22
IUPAC Name5-[methyl-[2-[methyl-(1-methylpiperidin-4-yl)amino]ethyl]amino]-5-oxopentanoic acid
SMILESCN1CCC(N(C)CCN(C)C(=O)CCCC(=O)O)CC1
InChIInChI=1S/C15H29N3O3/c1-16-9-7-13(8-10-16)17(2)11-12-18(3)14(19)5-4-6-15(20)21/h13H,4-12H2,1-3H3,(H,20,21)
InChIKeyIPDHSWYAQYAATN-UHFFFAOYSA-N
XLogP0.73
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[methyl-[2-[methyl-(1-methylpiperidin-4-yl)amino]ethyl]amino]-5-oxopentanoic acid?
The IUPAC name of 5-[methyl-[2-[methyl-(1-methylpiperidin-4-yl)amino]ethyl]amino]-5-oxopentanoic acid (CID 60950966) is 5-[methyl-[2-[methyl-(1-methylpiperidin-4-yl)amino]ethyl]amino]-5-oxopentanoic acid.
What is the SMILES notation for 5-[methyl-[2-[methyl-(1-methylpiperidin-4-yl)amino]ethyl]amino]-5-oxopentanoic acid?
The canonical SMILES for 5-[methyl-[2-[methyl-(1-methylpiperidin-4-yl)amino]ethyl]amino]-5-oxopentanoic acid is CN1CCC(N(C)CCN(C)C(=O)CCCC(=O)O)CC1.
What is the InChIKey of 5-[methyl-[2-[methyl-(1-methylpiperidin-4-yl)amino]ethyl]amino]-5-oxopentanoic acid?
The InChIKey is IPDHSWYAQYAATN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O3/c1-16-9-7-13(8-10-16)17(2)11-12-18(3)14(19)5-4-6-15(20)21/h13H,4-12H2,1-3H3,(H,20,21).
What are the key properties of 5-[methyl-[2-[methyl-(1-methylpiperidin-4-yl)amino]ethyl]amino]-5-oxopentanoic acid?
5-[methyl-[2-[methyl-(1-methylpiperidin-4-yl)amino]ethyl]amino]-5-oxopentanoic acid has a molecular weight of 299.42 g/mol, XLogP of 0.73, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[methyl-[2-[methyl-(1-methylpiperidin-4-yl)amino]ethyl]amino]-5-oxopentanoic acid is sourced from PubChem (CID 60950966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).