1-(4-benzyl-3-oxoquinoxalin-2-yl)-N-[3-(diethylamino)propyl]piperidine-4-carboxamide

C28H37N5O2 — CID 53062457

IUPAC1-(4-benzyl-3-oxoquinoxalin-2-yl)-N-[3-(diethylamino)propyl]piperidine-4-carboxamide
SMILESCCN(CC)CCCNC(=O)C1CCN(c2nc3ccccc3n(Cc3ccccc3)c2=O)CC1
InChIInChI=1S/C28H37N5O2/c1-3-31(4-2)18-10-17-29-27(34)23-15-19-32(20-16-23)26-28(35)33(21-22-11-6-5-7-12-22)25-14-9-8-13-24(25)30-26/h5-9,11-14,23H,3-4,10,15-21H2,1-2H3,(H,29,34)
InChIKeyGNHKHBWAEBJWKL-UHFFFAOYSA-N
MW475.64 g/mol
LogP3.51
Rot. Bonds10

About 1-(4-benzyl-3-oxoquinoxalin-2-yl)-N-[3-(diethylamino)propyl]piperidine-4-carboxamide

1-(4-benzyl-3-oxoquinoxalin-2-yl)-N-[3-(diethylamino)propyl]piperidine-4-carboxamide (PubChem CID 53062457) has the molecular formula C28H37N5O2 and a molecular weight of 475.64 g/mol. Its IUPAC name is 1-(4-benzyl-3-oxoquinoxalin-2-yl)-N-[3-(diethylamino)propyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-benzyl-3-oxoquinoxalin-2-yl)-N-[3-(diethylamino)propyl]piperidine-4-carboxamide
PubChem CID53062457
Molecular FormulaC28H37N5O2
Molecular Weight475.64 g/mol
Exact Mass475.29
IUPAC Name1-(4-benzyl-3-oxoquinoxalin-2-yl)-N-[3-(diethylamino)propyl]piperidine-4-carboxamide
SMILESCCN(CC)CCCNC(=O)C1CCN(c2nc3ccccc3n(Cc3ccccc3)c2=O)CC1
InChIInChI=1S/C28H37N5O2/c1-3-31(4-2)18-10-17-29-27(34)23-15-19-32(20-16-23)26-28(35)33(21-22-11-6-5-7-12-22)25-14-9-8-13-24(25)30-26/h5-9,11-14,23H,3-4,10,15-21H2,1-2H3,(H,29,34)
InChIKeyGNHKHBWAEBJWKL-UHFFFAOYSA-N
XLogP3.51
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.64
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-benzyl-3-oxoquinoxalin-2-yl)-N-[3-(diethylamino)propyl]piperidine-4-carboxamide?
The IUPAC name of 1-(4-benzyl-3-oxoquinoxalin-2-yl)-N-[3-(diethylamino)propyl]piperidine-4-carboxamide (CID 53062457) is 1-(4-benzyl-3-oxoquinoxalin-2-yl)-N-[3-(diethylamino)propyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-benzyl-3-oxoquinoxalin-2-yl)-N-[3-(diethylamino)propyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(4-benzyl-3-oxoquinoxalin-2-yl)-N-[3-(diethylamino)propyl]piperidine-4-carboxamide is CCN(CC)CCCNC(=O)C1CCN(c2nc3ccccc3n(Cc3ccccc3)c2=O)CC1.
What is the InChIKey of 1-(4-benzyl-3-oxoquinoxalin-2-yl)-N-[3-(diethylamino)propyl]piperidine-4-carboxamide?
The InChIKey is GNHKHBWAEBJWKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37N5O2/c1-3-31(4-2)18-10-17-29-27(34)23-15-19-32(20-16-23)26-28(35)33(21-22-11-6-5-7-12-22)25-14-9-8-13-24(25)30-26/h5-9,11-14,23H,3-4,10,15-21H2,1-2H3,(H,29,34).
What are the key properties of 1-(4-benzyl-3-oxoquinoxalin-2-yl)-N-[3-(diethylamino)propyl]piperidine-4-carboxamide?
1-(4-benzyl-3-oxoquinoxalin-2-yl)-N-[3-(diethylamino)propyl]piperidine-4-carboxamide has a molecular weight of 475.64 g/mol, XLogP of 3.51, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzyl-3-oxoquinoxalin-2-yl)-N-[3-(diethylamino)propyl]piperidine-4-carboxamide is sourced from PubChem (CID 53062457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).