N,N-dimethyl-1-[4-(3-quinoxalin-2-ylprop-2-enoyl)benzoyl]piperidine-4-carboxamide

C26H26N4O3 — CID 67014900

IUPACN,N-dimethyl-1-[4-(3-quinoxalin-2-ylprop-2-enoyl)benzoyl]piperidine-4-carboxamide
SMILESCN(C)C(=O)C1CCN(C(=O)c2ccc(C(=O)C=Cc3cnc4ccccc4n3)cc2)CC1
InChIInChI=1S/C26H26N4O3/c1-29(2)25(32)20-13-15-30(16-14-20)26(33)19-9-7-18(8-10-19)24(31)12-11-21-17-27-22-5-3-4-6-23(22)28-21/h3-12,17,20H,13-16H2,1-2H3
InChIKeyISWWNUSNCJHGMC-UHFFFAOYSA-N
MW442.52 g/mol
LogP3.47
Rot. Bonds5

About N,N-dimethyl-1-[4-(3-quinoxalin-2-ylprop-2-enoyl)benzoyl]piperidine-4-carboxamide

N,N-dimethyl-1-[4-(3-quinoxalin-2-ylprop-2-enoyl)benzoyl]piperidine-4-carboxamide (PubChem CID 67014900) has the molecular formula C26H26N4O3 and a molecular weight of 442.52 g/mol. Its IUPAC name is N,N-dimethyl-1-[4-(3-quinoxalin-2-ylprop-2-enoyl)benzoyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-1-[4-(3-quinoxalin-2-ylprop-2-enoyl)benzoyl]piperidine-4-carboxamide
PubChem CID67014900
Molecular FormulaC26H26N4O3
Molecular Weight442.52 g/mol
Exact Mass442.20
IUPAC NameN,N-dimethyl-1-[4-(3-quinoxalin-2-ylprop-2-enoyl)benzoyl]piperidine-4-carboxamide
SMILESCN(C)C(=O)C1CCN(C(=O)c2ccc(C(=O)C=Cc3cnc4ccccc4n3)cc2)CC1
InChIInChI=1S/C26H26N4O3/c1-29(2)25(32)20-13-15-30(16-14-20)26(33)19-9-7-18(8-10-19)24(31)12-11-21-17-27-22-5-3-4-6-23(22)28-21/h3-12,17,20H,13-16H2,1-2H3
InChIKeyISWWNUSNCJHGMC-UHFFFAOYSA-N
XLogP3.47
TPSA83.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[4-(3-quinoxalin-2-ylprop-2-enoyl)benzoyl]piperidine-4-carboxamide?
The IUPAC name of N,N-dimethyl-1-[4-(3-quinoxalin-2-ylprop-2-enoyl)benzoyl]piperidine-4-carboxamide (CID 67014900) is N,N-dimethyl-1-[4-(3-quinoxalin-2-ylprop-2-enoyl)benzoyl]piperidine-4-carboxamide.
What is the SMILES notation for N,N-dimethyl-1-[4-(3-quinoxalin-2-ylprop-2-enoyl)benzoyl]piperidine-4-carboxamide?
The canonical SMILES for N,N-dimethyl-1-[4-(3-quinoxalin-2-ylprop-2-enoyl)benzoyl]piperidine-4-carboxamide is CN(C)C(=O)C1CCN(C(=O)c2ccc(C(=O)C=Cc3cnc4ccccc4n3)cc2)CC1.
What is the InChIKey of N,N-dimethyl-1-[4-(3-quinoxalin-2-ylprop-2-enoyl)benzoyl]piperidine-4-carboxamide?
The InChIKey is ISWWNUSNCJHGMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O3/c1-29(2)25(32)20-13-15-30(16-14-20)26(33)19-9-7-18(8-10-19)24(31)12-11-21-17-27-22-5-3-4-6-23(22)28-21/h3-12,17,20H,13-16H2,1-2H3.
What are the key properties of N,N-dimethyl-1-[4-(3-quinoxalin-2-ylprop-2-enoyl)benzoyl]piperidine-4-carboxamide?
N,N-dimethyl-1-[4-(3-quinoxalin-2-ylprop-2-enoyl)benzoyl]piperidine-4-carboxamide has a molecular weight of 442.52 g/mol, XLogP of 3.47, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[4-(3-quinoxalin-2-ylprop-2-enoyl)benzoyl]piperidine-4-carboxamide is sourced from PubChem (CID 67014900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).