1-[4-(1-aminoethyl)piperidin-1-yl]-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butane-1,4-dione

C19H26N4O3 — CID 119519616

IUPAC1-[4-(1-aminoethyl)piperidin-1-yl]-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butane-1,4-dione
SMILESCC(N)C1CCN(C(=O)CCC(=O)N2CC(=O)Nc3ccccc32)CC1
InChIInChI=1S/C19H26N4O3/c1-13(20)14-8-10-22(11-9-14)18(25)6-7-19(26)23-12-17(24)21-15-4-2-3-5-16(15)23/h2-5,13-14H,6-12,20H2,1H3,(H,21,24)
InChIKeyNFSXLYVQFZVSKE-UHFFFAOYSA-N
MW358.44 g/mol
LogP1.34
Rot. Bonds4

About 1-[4-(1-aminoethyl)piperidin-1-yl]-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butane-1,4-dione

1-[4-(1-aminoethyl)piperidin-1-yl]-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butane-1,4-dione (PubChem CID 119519616) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is 1-[4-(1-aminoethyl)piperidin-1-yl]-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butane-1,4-dione.

Molecular Properties

Compound Name1-[4-(1-aminoethyl)piperidin-1-yl]-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butane-1,4-dione
PubChem CID119519616
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC Name1-[4-(1-aminoethyl)piperidin-1-yl]-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butane-1,4-dione
SMILESCC(N)C1CCN(C(=O)CCC(=O)N2CC(=O)Nc3ccccc32)CC1
InChIInChI=1S/C19H26N4O3/c1-13(20)14-8-10-22(11-9-14)18(25)6-7-19(26)23-12-17(24)21-15-4-2-3-5-16(15)23/h2-5,13-14H,6-12,20H2,1H3,(H,21,24)
InChIKeyNFSXLYVQFZVSKE-UHFFFAOYSA-N
XLogP1.34
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-aminoethyl)piperidin-1-yl]-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butane-1,4-dione?
The IUPAC name of 1-[4-(1-aminoethyl)piperidin-1-yl]-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butane-1,4-dione (CID 119519616) is 1-[4-(1-aminoethyl)piperidin-1-yl]-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butane-1,4-dione.
What is the SMILES notation for 1-[4-(1-aminoethyl)piperidin-1-yl]-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butane-1,4-dione?
The canonical SMILES for 1-[4-(1-aminoethyl)piperidin-1-yl]-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butane-1,4-dione is CC(N)C1CCN(C(=O)CCC(=O)N2CC(=O)Nc3ccccc32)CC1.
What is the InChIKey of 1-[4-(1-aminoethyl)piperidin-1-yl]-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butane-1,4-dione?
The InChIKey is NFSXLYVQFZVSKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-13(20)14-8-10-22(11-9-14)18(25)6-7-19(26)23-12-17(24)21-15-4-2-3-5-16(15)23/h2-5,13-14H,6-12,20H2,1H3,(H,21,24).
What are the key properties of 1-[4-(1-aminoethyl)piperidin-1-yl]-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butane-1,4-dione?
1-[4-(1-aminoethyl)piperidin-1-yl]-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butane-1,4-dione has a molecular weight of 358.44 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-aminoethyl)piperidin-1-yl]-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butane-1,4-dione is sourced from PubChem (CID 119519616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).